1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine

C11H15F2NO — CID 84680949

IUPAC1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine
SMILESCOc1c(F)cc(C(C)F)cc1C(C)N
InChIInChI=1S/C11H15F2NO/c1-6(12)8-4-9(7(2)14)11(15-3)10(13)5-8/h4-7H,14H2,1-3H3
InChIKeyJCOAABXDEWSMAX-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.88
Rot. Bonds3

About 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine

1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine (PubChem CID 84680949) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine
PubChem CID84680949
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine
SMILESCOc1c(F)cc(C(C)F)cc1C(C)N
InChIInChI=1S/C11H15F2NO/c1-6(12)8-4-9(7(2)14)11(15-3)10(13)5-8/h4-7H,14H2,1-3H3
InChIKeyJCOAABXDEWSMAX-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine 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

1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol
CID 84681646
4-amino-4-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]butanoic acid
CID 117435434
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
CID 84796637
4-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]butan-1-amine
CID 117359967
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine
CID 84681000
3-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]propanal
CID 117328595
2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117362497
2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 117353320
3-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]propanoic acid
CID 117362075
(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
CID 55277831
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382009

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine (CID 84680949) is 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine is COc1c(F)cc(C(C)F)cc1C(C)N.
What is the InChIKey of 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine?
The InChIKey is JCOAABXDEWSMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-6(12)8-4-9(7(2)14)11(15-3)10(13)5-8/h4-7H,14H2,1-3H3.
What are the key properties of 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine?
1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine is sourced from PubChem (CID 84680949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).