2-methoxy-4,5-dihydro-3H-1-benzazepine

C11H13NO — CID 18428530

IUPAC2-methoxy-4,5-dihydro-3H-1-benzazepine
SMILESCOC1=Nc2ccccc2CCC1
InChIInChI=1S/C11H13NO/c1-13-11-8-4-6-9-5-2-3-7-10(9)12-11/h2-3,5,7H,4,6,8H2,1H3
InChIKeyYCJFLDMFVWJOMB-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.70
Rot. Bonds

About 2-methoxy-4,5-dihydro-3H-1-benzazepine

2-methoxy-4,5-dihydro-3H-1-benzazepine (PubChem CID 18428530) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methoxy-4,5-dihydro-3H-1-benzazepine.

Molecular Properties

Compound Name2-methoxy-4,5-dihydro-3H-1-benzazepine
PubChem CID18428530
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-methoxy-4,5-dihydro-3H-1-benzazepine
SMILESCOC1=Nc2ccccc2CCC1
InChIInChI=1S/C11H13NO/c1-13-11-8-4-6-9-5-2-3-7-10(9)12-11/h2-3,5,7H,4,6,8H2,1H3
InChIKeyYCJFLDMFVWJOMB-UHFFFAOYSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-4,5-dihydro-3H-1-benzazepine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dihydro-3H-1-benzazepine?
The IUPAC name of 2-methoxy-4,5-dihydro-3H-1-benzazepine (CID 18428530) is 2-methoxy-4,5-dihydro-3H-1-benzazepine.
What is the SMILES notation for 2-methoxy-4,5-dihydro-3H-1-benzazepine?
The canonical SMILES for 2-methoxy-4,5-dihydro-3H-1-benzazepine is COC1=Nc2ccccc2CCC1.
What is the InChIKey of 2-methoxy-4,5-dihydro-3H-1-benzazepine?
The InChIKey is YCJFLDMFVWJOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-13-11-8-4-6-9-5-2-3-7-10(9)12-11/h2-3,5,7H,4,6,8H2,1H3.
What are the key properties of 2-methoxy-4,5-dihydro-3H-1-benzazepine?
2-methoxy-4,5-dihydro-3H-1-benzazepine has a molecular weight of 175.23 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dihydro-3H-1-benzazepine is sourced from PubChem (CID 18428530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).