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

C12H18ClN3 — CID 84629586

IUPAC2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine
SMILESCN1CCCN(CCN)c2cc(Cl)ccc21
InChIInChI=1S/C12H18ClN3/c1-15-6-2-7-16(8-5-14)12-9-10(13)3-4-11(12)15/h3-4,9H,2,5-8,14H2,1H3
InChIKeyBLRRRFUXRCUHRN-UHFFFAOYSA-N
MW239.75 g/mol
LogP1.95
Rot. Bonds2

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

2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine (PubChem CID 84629586) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine
PubChem CID84629586
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine
SMILESCN1CCCN(CCN)c2cc(Cl)ccc21
InChIInChI=1S/C12H18ClN3/c1-15-6-2-7-16(8-5-14)12-9-10(13)3-4-11(12)15/h3-4,9H,2,5-8,14H2,1H3
InChIKeyBLRRRFUXRCUHRN-UHFFFAOYSA-N
XLogP1.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine 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-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-amine
CID 84635075
7-chloro-5-[(2-chloro-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-2H-1,5-benzodiazepine
CID 75422316
2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
1-(2-aminoethyl)-7-chloro-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84635046
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
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
3-(1-methyl-7-propan-2-yl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propanoic acid
CID 84642291
[5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine
CID 63779100
1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84629565
6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline
CID 75451837
2-(1,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)acetic acid
CID 84627799

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine?
The IUPAC name of 2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine (CID 84629586) is 2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine is CN1CCCN(CCN)c2cc(Cl)ccc21.
What is the InChIKey of 2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine?
The InChIKey is BLRRRFUXRCUHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-15-6-2-7-16(8-5-14)12-9-10(13)3-4-11(12)15/h3-4,9H,2,5-8,14H2,1H3.
What are the key properties of 2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine?
2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine has a molecular weight of 239.75 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanamine is sourced from PubChem (CID 84629586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).