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

C16H14FN3 — CID 16653137

IUPAC3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine
SMILESCC1=C(c2ccc(F)cc2)C(N)=Nc2ccccc2N1
InChIInChI=1S/C16H14FN3/c1-10-15(11-6-8-12(17)9-7-11)16(18)20-14-5-3-2-4-13(14)19-10/h2-9,19H,1H3,(H2,18,20)
InChIKeyOJCJONSRGRFFMQ-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.67
Rot. Bonds1

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

3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine (PubChem CID 16653137) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine
PubChem CID16653137
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine
SMILESCC1=C(c2ccc(F)cc2)C(N)=Nc2ccccc2N1
InChIInChI=1S/C16H14FN3/c1-10-15(11-6-8-12(17)9-7-11)16(18)20-14-5-3-2-4-13(14)19-10/h2-9,19H,1H3,(H2,18,20)
InChIKeyOJCJONSRGRFFMQ-UHFFFAOYSA-N
XLogP3.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine (CID 16653137) is 3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine is CC1=C(c2ccc(F)cc2)C(N)=Nc2ccccc2N1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine?
The InChIKey is OJCJONSRGRFFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-10-15(11-6-8-12(17)9-7-11)16(18)20-14-5-3-2-4-13(14)19-10/h2-9,19H,1H3,(H2,18,20).
What are the key properties of 3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine?
3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine has a molecular weight of 267.31 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine is sourced from PubChem (CID 16653137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).