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

C16H15N3 — CID 12569588

IUPAC7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine
SMILESCc1ccc2c(c1)C(c1ccccc1)=NCC(N)=N2
InChIInChI=1S/C16H15N3/c1-11-7-8-14-13(9-11)16(18-10-15(17)19-14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyCKLBCCMYEQGUCZ-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.83
Rot. Bonds1

About 7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine

7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine (PubChem CID 12569588) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine.

Molecular Properties

Compound Name7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine
PubChem CID12569588
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine
SMILESCc1ccc2c(c1)C(c1ccccc1)=NCC(N)=N2
InChIInChI=1S/C16H15N3/c1-11-7-8-14-13(9-11)16(18-10-15(17)19-14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19)
InChIKeyCKLBCCMYEQGUCZ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine?
The IUPAC name of 7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine (CID 12569588) is 7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine.
What is the SMILES notation for 7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine?
The canonical SMILES for 7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine is Cc1ccc2c(c1)C(c1ccccc1)=NCC(N)=N2.
What is the InChIKey of 7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine?
The InChIKey is CKLBCCMYEQGUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-7-8-14-13(9-11)16(18-10-15(17)19-14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19).
What are the key properties of 7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine?
7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine is sourced from PubChem (CID 12569588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).