4-(2-fluoro-5-methylphenyl)oxepan-4-amine

C13H18FNO — CID 65077062

IUPAC4-(2-fluoro-5-methylphenyl)oxepan-4-amine
SMILESCc1ccc(F)c(C2(N)CCCOCC2)c1
InChIInChI=1S/C13H18FNO/c1-10-3-4-12(14)11(9-10)13(15)5-2-7-16-8-6-13/h3-4,9H,2,5-8,15H2,1H3
InChIKeyQJTDPHRARMLSPE-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.49
Rot. Bonds1

About 4-(2-fluoro-5-methylphenyl)oxepan-4-amine

4-(2-fluoro-5-methylphenyl)oxepan-4-amine (PubChem CID 65077062) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenyl)oxepan-4-amine
PubChem CID65077062
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(2-fluoro-5-methylphenyl)oxepan-4-amine
SMILESCc1ccc(F)c(C2(N)CCCOCC2)c1
InChIInChI=1S/C13H18FNO/c1-10-3-4-12(14)11(9-10)13(15)5-2-7-16-8-6-13/h3-4,9H,2,5-8,15H2,1H3
InChIKeyQJTDPHRARMLSPE-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluoro-5-methylphenyl)oxepan-4-amine 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 4-(2-fluoro-5-methylphenyl)oxepan-4-amine?
The IUPAC name of 4-(2-fluoro-5-methylphenyl)oxepan-4-amine (CID 65077062) is 4-(2-fluoro-5-methylphenyl)oxepan-4-amine.
What is the SMILES notation for 4-(2-fluoro-5-methylphenyl)oxepan-4-amine?
The canonical SMILES for 4-(2-fluoro-5-methylphenyl)oxepan-4-amine is Cc1ccc(F)c(C2(N)CCCOCC2)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenyl)oxepan-4-amine?
The InChIKey is QJTDPHRARMLSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-3-4-12(14)11(9-10)13(15)5-2-7-16-8-6-13/h3-4,9H,2,5-8,15H2,1H3.
What are the key properties of 4-(2-fluoro-5-methylphenyl)oxepan-4-amine?
4-(2-fluoro-5-methylphenyl)oxepan-4-amine has a molecular weight of 223.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenyl)oxepan-4-amine is sourced from PubChem (CID 65077062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).