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

C13H18FNO2 — CID 82770544

IUPAC4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
SMILESCOc1ccc(F)cc1C1(N)CCCOCC1
InChIInChI=1S/C13H18FNO2/c1-16-12-4-3-10(14)9-11(12)13(15)5-2-7-17-8-6-13/h3-4,9H,2,5-8,15H2,1H3
InChIKeyONECOFCSNKYADY-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.19
Rot. Bonds2

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

4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine (PubChem CID 82770544) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
PubChem CID82770544
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
SMILESCOc1ccc(F)cc1C1(N)CCCOCC1
InChIInChI=1S/C13H18FNO2/c1-16-12-4-3-10(14)9-11(12)13(15)5-2-7-17-8-6-13/h3-4,9H,2,5-8,15H2,1H3
InChIKeyONECOFCSNKYADY-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-fluoro-2-methoxyphenyl)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

Related Compounds

4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
4-(4-fluoro-2-methylphenyl)oxepan-4-amine
CID 65077011
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013
4-(chloromethyl)-4-(5-fluoro-2-methoxyphenyl)oxane
CID 82089670
3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
CID 166607967
4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
CID 83824702
1-(2-methoxy-5-morpholin-4-ylphenyl)cyclohexan-1-amine
CID 117469481
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
4-(2-fluoro-5-methylphenyl)oxepan-4-amine
CID 65077062
8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 82770535

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine (CID 82770544) is 4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine is COc1ccc(F)cc1C1(N)CCCOCC1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine?
The InChIKey is ONECOFCSNKYADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-12-4-3-10(14)9-11(12)13(15)5-2-7-17-8-6-13/h3-4,9H,2,5-8,15H2,1H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine?
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine has a molecular weight of 239.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine is sourced from PubChem (CID 82770544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).