2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol

C17H20N2O — CID 125496402

IUPAC2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol
SMILESNC[C@H]1Cc2ccccc2N(CCO)c2ccccc21
InChIInChI=1S/C17H20N2O/c18-12-14-11-13-5-1-3-7-16(13)19(9-10-20)17-8-4-2-6-15(14)17/h1-8,14,20H,9-12,18H2/t14-/m1/s1
InChIKeyWPOPTASQJAYZKU-CQSZACIVSA-N
MW268.36 g/mol
LogP2.42
Rot. Bonds3

About 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol

2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol (PubChem CID 125496402) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol.

Molecular Properties

Compound Name2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol
PubChem CID125496402
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol
SMILESNC[C@H]1Cc2ccccc2N(CCO)c2ccccc21
InChIInChI=1S/C17H20N2O/c18-12-14-11-13-5-1-3-7-16(13)19(9-10-20)17-8-4-2-6-15(14)17/h1-8,14,20H,9-12,18H2/t14-/m1/s1
InChIKeyWPOPTASQJAYZKU-CQSZACIVSA-N
XLogP2.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 54772600
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
ethyl 4-[11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-yl]butanoate
CID 54332767
(5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 40526895
[(1R)-1,2-dihydroacenaphthylen-1-yl]methanamine
CID 92976167
[(5S)-5,6-dihydro-[1]benzoxepino[2,3-b]pyridin-5-yl]methanamine
CID 167169305
2-[2-(11,12-dihydro-10H-benzo[b][1]benzazocin-5-yl)ethoxy]ethanol
CID 18965318
[(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl]methyl formate
CID 121244798
3-(dimethylamino)propyl (5S)-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carboxylate
CID 40527436
5-amino-5,6-dihydrobenzo[b][1]benzazepine-11-carbonitrile
CID 89299148
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol?
The IUPAC name of 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol (CID 125496402) is 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol.
What is the SMILES notation for 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol?
The canonical SMILES for 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol is NC[C@H]1Cc2ccccc2N(CCO)c2ccccc21.
What is the InChIKey of 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol?
The InChIKey is WPOPTASQJAYZKU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O/c18-12-14-11-13-5-1-3-7-16(13)19(9-10-20)17-8-4-2-6-15(14)17/h1-8,14,20H,9-12,18H2/t14-/m1/s1.
What are the key properties of 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol?
2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol has a molecular weight of 268.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-(aminomethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanol is sourced from PubChem (CID 125496402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).