7-benzyl-2-methyl-3H-azepine

C14H15N — CID 134989202

IUPAC7-benzyl-2-methyl-3H-azepine
SMILESCC1=NC(Cc2ccccc2)=CC=CC1
InChIInChI=1S/C14H15N/c1-12-7-5-6-10-14(15-12)11-13-8-3-2-4-9-13/h2-6,8-10H,7,11H2,1H3
InChIKeyLRTTWWLIVMCKHX-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.53
Rot. Bonds2

About 7-benzyl-2-methyl-3H-azepine

7-benzyl-2-methyl-3H-azepine (PubChem CID 134989202) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-benzyl-2-methyl-3H-azepine.

Molecular Properties

Compound Name7-benzyl-2-methyl-3H-azepine
PubChem CID134989202
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name7-benzyl-2-methyl-3H-azepine
SMILESCC1=NC(Cc2ccccc2)=CC=CC1
InChIInChI=1S/C14H15N/c1-12-7-5-6-10-14(15-12)11-13-8-3-2-4-9-13/h2-6,8-10H,7,11H2,1H3
InChIKeyLRTTWWLIVMCKHX-UHFFFAOYSA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-benzyl-2-methyl-3H-azepine with MolForge

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

Launch Full Analysis

Related Compounds

5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
3-Phenyl-2H-azirine
CID 275913
2,2-Dimethyl-3-phenyl-2H-azirene
CID 308215
6-(4-fluorophenyl)-2-methyl-3H-azepine
CID 101954547
2H-Azirine, 2-methyl-3-phenyl-
CID 308214
5-benzyl-3,4-dihydro-2H-pyrrole
CID 224018
Azete, 2,3-dihydro-4-phenyl-
CID 568635
2-Phenyl-4,5,6,7-tetrahydro-3H-azepine
CID 568957
N-Methyl-1-phenylethan-1-imine
CID 576474
2H-azirine, 3-(4-methylphenyl)-
CID 639130
Benzenemethanamine, N-(1-methylethylidene)-
CID 3783166
N-benzylpentan-3-imine
CID 12290020

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-methyl-3H-azepine?
The IUPAC name of 7-benzyl-2-methyl-3H-azepine (CID 134989202) is 7-benzyl-2-methyl-3H-azepine.
What is the SMILES notation for 7-benzyl-2-methyl-3H-azepine?
The canonical SMILES for 7-benzyl-2-methyl-3H-azepine is CC1=NC(Cc2ccccc2)=CC=CC1.
What is the InChIKey of 7-benzyl-2-methyl-3H-azepine?
The InChIKey is LRTTWWLIVMCKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-12-7-5-6-10-14(15-12)11-13-8-3-2-4-9-13/h2-6,8-10H,7,11H2,1H3.
What are the key properties of 7-benzyl-2-methyl-3H-azepine?
7-benzyl-2-methyl-3H-azepine has a molecular weight of 197.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-methyl-3H-azepine is sourced from PubChem (CID 134989202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).