2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine

C16H15N3 — CID 2943616

IUPAC2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine
SMILESCC1=Nc2ccccc2N=C(N)C1c1ccccc1
InChIInChI=1S/C16H15N3/c1-11-15(12-7-3-2-4-8-12)16(17)19-14-10-6-5-9-13(14)18-11/h2-10,15H,1H3,(H2,17,19)
InChIKeyPQTNTLAURNVWGR-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.57
Rot. Bonds1

About 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine

2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine (PubChem CID 2943616) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine.

Molecular Properties

Compound Name2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine
PubChem CID2943616
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine
SMILESCC1=Nc2ccccc2N=C(N)C1c1ccccc1
InChIInChI=1S/C16H15N3/c1-11-15(12-7-3-2-4-8-12)16(17)19-14-10-6-5-9-13(14)18-11/h2-10,15H,1H3,(H2,17,19)
InChIKeyPQTNTLAURNVWGR-UHFFFAOYSA-N
XLogP3.57
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-3,4-dihydro-1H-quinolin-(2E)-ylideneamine
CID 44400067
Benzeneethanimidamide, N-phenyl-
CID 201919
2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-phenyl-, hydrazone
CID 55764
6a,7,8,9,10,10a-Hexahydro-phenanthridin-6-ylamine
CID 44319753
4-Phenyl-3,4-dihydroquinolin-2-amine
CID 71682373
N,N-dimethyl-2-phenyl-3H-1,5-benzodiazepin-4-amine
CID 12440714
7,8,9,10,11,11a-Hexahydro-6aH-cyclohepta[c]quinolin-6-ylamine
CID 44319752
3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine
CID 2948101
Cambridge id 5219834
CID 788174
Fluoromethyl-4-phenyl-3h-benzo[b]-1,4-diazepine
CID 129813855
Propane, 1-dimethylamino-3-phenyl-3-phenylamidino-
CID 171384314
Propane, 1-diethylamino-3-phenyl-3-phenylamidino-
CID 171384844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine?
The IUPAC name of 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine (CID 2943616) is 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine.
What is the SMILES notation for 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine?
The canonical SMILES for 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine is CC1=Nc2ccccc2N=C(N)C1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine?
The InChIKey is PQTNTLAURNVWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-15(12-7-3-2-4-8-12)16(17)19-14-10-6-5-9-13(14)18-11/h2-10,15H,1H3,(H2,17,19).
What are the key properties of 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine?
2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine has a molecular weight of 249.32 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine is sourced from PubChem (CID 2943616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).