3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine

C13H20ClN3 — CID 84635075

IUPAC3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine
SMILESCN1CCCN(CCCN)c2cc(Cl)ccc21
InChIInChI=1S/C13H20ClN3/c1-16-7-3-9-17(8-2-6-15)13-10-11(14)4-5-12(13)16/h4-5,10H,2-3,6-9,15H2,1H3
InChIKeyMFPMODTVLMSYFX-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.34
Rot. Bonds3

About 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine

3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine (PubChem CID 84635075) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine
PubChem CID84635075
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine
SMILESCN1CCCN(CCCN)c2cc(Cl)ccc21
InChIInChI=1S/C13H20ClN3/c1-16-7-3-9-17(8-2-6-15)13-10-11(14)4-5-12(13)16/h4-5,10H,2-3,6-9,15H2,1H3
InChIKeyMFPMODTVLMSYFX-UHFFFAOYSA-N
XLogP2.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine 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

2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine
CID 84629586
3-(7-ethyl-5-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)propan-1-amine
CID 84632932
5-(3-aminopropyl)-7-chloro-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 84640561
7-chloro-5-[(2-chloro-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-2H-1,5-benzodiazepine
CID 75422316
3-(8-bromo-1,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine
CID 84645439
[5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine
CID 63779100
3-(5-chloro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
CID 121353781
1-(2-aminoethyl)-7-chloro-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84635046
2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline
CID 75451837
3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 170867536
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine
CID 62094966

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine?
The IUPAC name of 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine (CID 84635075) is 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine?
The canonical SMILES for 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine is CN1CCCN(CCCN)c2cc(Cl)ccc21.
What is the InChIKey of 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine?
The InChIKey is MFPMODTVLMSYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-16-7-3-9-17(8-2-6-15)13-10-11(14)4-5-12(13)16/h4-5,10H,2-3,6-9,15H2,1H3.
What are the key properties of 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine?
3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine has a molecular weight of 253.78 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine is sourced from PubChem (CID 84635075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).