2,3-dimethyl-3H-1-benzazepine

C12H13N — CID 15308871

IUPAC2,3-dimethyl-3H-1-benzazepine
SMILESCC1=Nc2ccccc2C=CC1C
InChIInChI=1S/C12H13N/c1-9-7-8-11-5-3-4-6-12(11)13-10(9)2/h3-9H,1-2H3
InChIKeyRGWRUUDDRQDOSI-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.44
Rot. Bonds

About 2,3-dimethyl-3H-1-benzazepine

2,3-dimethyl-3H-1-benzazepine (PubChem CID 15308871) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,3-dimethyl-3H-1-benzazepine.

Molecular Properties

Compound Name2,3-dimethyl-3H-1-benzazepine
PubChem CID15308871
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2,3-dimethyl-3H-1-benzazepine
SMILESCC1=Nc2ccccc2C=CC1C
InChIInChI=1S/C12H13N/c1-9-7-8-11-5-3-4-6-12(11)13-10(9)2/h3-9H,1-2H3
InChIKeyRGWRUUDDRQDOSI-UHFFFAOYSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3H-1-benzazepine?
The IUPAC name of 2,3-dimethyl-3H-1-benzazepine (CID 15308871) is 2,3-dimethyl-3H-1-benzazepine.
What is the SMILES notation for 2,3-dimethyl-3H-1-benzazepine?
The canonical SMILES for 2,3-dimethyl-3H-1-benzazepine is CC1=Nc2ccccc2C=CC1C.
What is the InChIKey of 2,3-dimethyl-3H-1-benzazepine?
The InChIKey is RGWRUUDDRQDOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9-7-8-11-5-3-4-6-12(11)13-10(9)2/h3-9H,1-2H3.
What are the key properties of 2,3-dimethyl-3H-1-benzazepine?
2,3-dimethyl-3H-1-benzazepine has a molecular weight of 171.24 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3H-1-benzazepine is sourced from PubChem (CID 15308871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).