3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine

C17H19ClN2 — CID 3085253

IUPAC3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine
SMILESNCCCN1c2ccccc2CCc2ccc(Cl)cc21
InChIInChI=1S/C17H19ClN2/c18-15-9-8-14-7-6-13-4-1-2-5-16(13)20(11-3-10-19)17(14)12-15/h1-2,4-5,8-9,12H,3,6-7,10-11,19H2
InChIKeyLHDZEFLZJRLKPT-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.93
Rot. Bonds3

About 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine

3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine (PubChem CID 3085253) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine
PubChem CID3085253
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine
SMILESNCCCN1c2ccccc2CCc2ccc(Cl)cc21
InChIInChI=1S/C17H19ClN2/c18-15-9-8-14-7-6-13-4-1-2-5-16(13)20(11-3-10-19)17(14)12-15/h1-2,4-5,8-9,12H,3,6-7,10-11,19H2
InChIKeyLHDZEFLZJRLKPT-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2995
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CID 68539
Imipramine Hydrochloride
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Desipramine Hydrochloride
CID 65327
Norclomipramine
CID 622606
Didesmethylimipramine
CID 159642
Metapramine
CID 65700
N-(5-Chloro-2-methylphenyl)piperazine
CID 693767
3-Chloroiminodibenzyl
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CID 52934004

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine?
The IUPAC name of 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine (CID 3085253) is 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine is NCCCN1c2ccccc2CCc2ccc(Cl)cc21.
What is the InChIKey of 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine?
The InChIKey is LHDZEFLZJRLKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-15-9-8-14-7-6-13-4-1-2-5-16(13)20(11-3-10-19)17(14)12-15/h1-2,4-5,8-9,12H,3,6-7,10-11,19H2.
What are the key properties of 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine?
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine has a molecular weight of 286.81 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine is sourced from PubChem (CID 3085253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).