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

C16H14ClN3 — CID 17198359

IUPAC3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine
SMILESCC1=C(c2cccc(Cl)c2)C(N)=Nc2ccccc2N1
InChIInChI=1S/C16H14ClN3/c1-10-15(11-5-4-6-12(17)9-11)16(18)20-14-8-3-2-7-13(14)19-10/h2-9,19H,1H3,(H2,18,20)
InChIKeyRPIGTTNVTKREAV-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.19
Rot. Bonds1

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

3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine (PubChem CID 17198359) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine
PubChem CID17198359
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine
SMILESCC1=C(c2cccc(Cl)c2)C(N)=Nc2ccccc2N1
InChIInChI=1S/C16H14ClN3/c1-10-15(11-5-4-6-12(17)9-11)16(18)20-14-8-3-2-7-13(14)19-10/h2-9,19H,1H3,(H2,18,20)
InChIKeyRPIGTTNVTKREAV-UHFFFAOYSA-N
XLogP4.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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diethyl (4E,15E)-3,5,14,16-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene-4,15-dicarboxylate
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2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine
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4-(3-chlorophenyl)-5-methylpyrazol-3-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine?
The IUPAC name of 3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine (CID 17198359) is 3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine is CC1=C(c2cccc(Cl)c2)C(N)=Nc2ccccc2N1.
What is the InChIKey of 3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine?
The InChIKey is RPIGTTNVTKREAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10-15(11-5-4-6-12(17)9-11)16(18)20-14-8-3-2-7-13(14)19-10/h2-9,19H,1H3,(H2,18,20).
What are the key properties of 3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine?
3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 4.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine is sourced from PubChem (CID 17198359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).