3677 -OEChem-10051719343D 29 29 0 0 0 0 0 0 0999 V2000 3.1107 -0.2518 -0.2944 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -0.3279 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7476 0.0328 -0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 0.6616 1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 -1.7594 0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 0.0637 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 1.0961 -0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 -1.0924 -0.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 1.2470 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 -1.0642 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 1.2751 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 0.1194 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 1.0227 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 -0.6644 -1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 0.4516 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 0.5755 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5974 1.7062 1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6049 -1.8735 1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 -2.0340 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 -2.4889 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -0.9027 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 1.3945 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4437 1.1112 -1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 1.8746 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0319 -2.0188 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6747 2.1544 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4173 -1.9638 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 2.1969 0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 0.1414 0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 11 2 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 M END > DB01365 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RXQCGGRTAILOIN-UHFFFAOYSA-N/SDF?record_type=3d > CNC(C)(C)CC1=CC=CC=C1 > InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3 > RXQCGGRTAILOIN-UHFFFAOYSA-N > C11H17N > 163.2594 > 163.136099549 > 1 > 29 > 0.999501359609679 > 19.792070710822706 > 1 > 1 > 0 > 1 > methyl(2-methyl-1-phenylpropan-2-yl)amine > 2.54 > 2.5174075436666663 > -2.55 > 0 > 1 > 1 > 1 > 10.301995935383097 > 12.03 > 53.11800000000001 > 3 > 1 > 4.57e-01 g/l > tetrahydrofolic acid > 1 $$$$