1-[(4-methoxyphenyl)methyl]azepane

C14H21NO — CID 763595

IUPAC1-[(4-methoxyphenyl)methyl]azepane
SMILESCOc1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C14H21NO/c1-16-14-8-6-13(7-9-14)12-15-10-4-2-3-5-11-15/h6-9H,2-5,10-12H2,1H3
InChIKeyUCPXKGQYRBFHDN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]azepane

1-[(4-methoxyphenyl)methyl]azepane (PubChem CID 763595) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]azepane.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]azepane
PubChem CID763595
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[(4-methoxyphenyl)methyl]azepane
SMILESCOc1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C14H21NO/c1-16-14-8-6-13(7-9-14)12-15-10-4-2-3-5-11-15/h6-9H,2-5,10-12H2,1H3
InChIKeyUCPXKGQYRBFHDN-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methoxyphenyl)methyl]azepane 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 1-[(4-methoxyphenyl)methyl]azepane?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]azepane (CID 763595) is 1-[(4-methoxyphenyl)methyl]azepane.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]azepane?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]azepane is COc1ccc(CN2CCCCCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]azepane?
The InChIKey is UCPXKGQYRBFHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-16-14-8-6-13(7-9-14)12-15-10-4-2-3-5-11-15/h6-9H,2-5,10-12H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]azepane?
1-[(4-methoxyphenyl)methyl]azepane has a molecular weight of 219.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]azepane is sourced from PubChem (CID 763595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).