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

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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).