Metabolite N-Didesmethyl-tamoxifen

Name
N-Didesmethyl-tamoxifen
HMDB ID
HMDB61086
Description
Not Available
Structure
Thumb
CAS number
Not Available
Weight
Average: 343.4614
Monoisotopic: 343.193614427
Chemical Formula
C24H25NO
InChI Key
MCJKBWHDNUSJLW-VHXPQNKSSA-N
InChI
InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-
IUPAC Name
2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethan-1-amine
SMILES
CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN)C=C1)C1=CC=CC=C1
Reactions
Predicted Properties
PropertyValueSource
Water Solubility0.00044 mg/mLALOGPS
logP5.61ALOGPS
logP5.54ChemAxon
logS-5.9ALOGPS
pKa (Strongest Basic)9.28ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area35.25 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity118.36 m3·mol-1ChemAxon
Polarizability40.26 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon