2-(2-methylphenyl)-1H-azepine

C13H13N — CID 150769015

IUPAC2-(2-methylphenyl)-1H-azepine
SMILESCc1ccccc1C1=CC=CC=CN1
InChIInChI=1S/C13H13N/c1-11-7-4-5-8-12(11)13-9-3-2-6-10-14-13/h2-10,14H,1H3
InChIKeyJZLSSWLDZWRWLW-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.01
Rot. Bonds1

About 2-(2-methylphenyl)-1H-azepine

2-(2-methylphenyl)-1H-azepine (PubChem CID 150769015) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1H-azepine.

Molecular Properties

Compound Name2-(2-methylphenyl)-1H-azepine
PubChem CID150769015
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-(2-methylphenyl)-1H-azepine
SMILESCc1ccccc1C1=CC=CC=CN1
InChIInChI=1S/C13H13N/c1-11-7-4-5-8-12(11)13-9-3-2-6-10-14-13/h2-10,14H,1H3
InChIKeyJZLSSWLDZWRWLW-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1H-azepine?
The IUPAC name of 2-(2-methylphenyl)-1H-azepine (CID 150769015) is 2-(2-methylphenyl)-1H-azepine.
What is the SMILES notation for 2-(2-methylphenyl)-1H-azepine?
The canonical SMILES for 2-(2-methylphenyl)-1H-azepine is Cc1ccccc1C1=CC=CC=CN1.
What is the InChIKey of 2-(2-methylphenyl)-1H-azepine?
The InChIKey is JZLSSWLDZWRWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-11-7-4-5-8-12(11)13-9-3-2-6-10-14-13/h2-10,14H,1H3.
What are the key properties of 2-(2-methylphenyl)-1H-azepine?
2-(2-methylphenyl)-1H-azepine has a molecular weight of 183.25 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1H-azepine is sourced from PubChem (CID 150769015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).