3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine

C16H14ClN3 — CID 2948101

IUPAC3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine
SMILESCC1=Nc2ccccc2N=C(N)C1c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-10-15(11-6-8-12(17)9-7-11)16(18)20-14-5-3-2-4-13(14)19-10/h2-9,15H,1H3,(H2,18,20)
InChIKeyMNLFWUROMUCIKF-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.22
Rot. Bonds1

About 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine

3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine (PubChem CID 2948101) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine
PubChem CID2948101
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine
SMILESCC1=Nc2ccccc2N=C(N)C1c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3/c1-10-15(11-6-8-12(17)9-7-11)16(18)20-14-5-3-2-4-13(14)19-10/h2-9,15H,1H3,(H2,18,20)
InChIKeyMNLFWUROMUCIKF-UHFFFAOYSA-N
XLogP4.22
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-chloro-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]propanamide
CID 757682
5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine
CID 123992577
4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 4067100
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984
5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine
CID 167627477
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 991929
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
(2S)-6-chloro-2-methyl-2H-1,4-benzoxazin-3-amine
CID 70248316
2-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol
CID 2728675
2,4-dimethyl-3H-1,5-benzodiazepine;dihydrate;hydrochloride
CID 18526934
(9R)-9-(4-chlorophenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 7339987
4-[(2S)-2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol
CID 135748146

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine (CID 2948101) is 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine is CC1=Nc2ccccc2N=C(N)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine?
The InChIKey is MNLFWUROMUCIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10-15(11-6-8-12(17)9-7-11)16(18)20-14-5-3-2-4-13(14)19-10/h2-9,15H,1H3,(H2,18,20).
What are the key properties of 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine?
3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine is sourced from PubChem (CID 2948101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).