2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine

C10H11ClF3N — CID 117347970

IUPAC2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(CN)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C10H11ClF3N/c1-6(5-15)9-7(10(12,13)14)3-2-4-8(9)11/h2-4,6H,5,15H2,1H3
InChIKeyYFKUOVFOJBEAJY-UHFFFAOYSA-N
MW237.65 g/mol
LogP3.42
Rot. Bonds2

About 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine

2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 117347970) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID117347970
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(CN)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C10H11ClF3N/c1-6(5-15)9-7(10(12,13)14)3-2-4-8(9)11/h2-4,6H,5,15H2,1H3
InChIKeyYFKUOVFOJBEAJY-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-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

2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene
CID 131992955
2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117452946
(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine
CID 171227154
(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171227171
(1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207579
2-butan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 20823616
3-(2-chlorophenyl)-3-fluoro-2-methylbutan-1-amine
CID 105469303
2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline
CID 43121812
3-[2-methoxy-6-(trifluoromethyl)phenyl]butan-1-amine
CID 117370072
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171227177
2-[3-chloro-2-(fluoromethyl)phenyl]propan-1-amine
CID 117290539
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171227181

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine (CID 117347970) is 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine is CC(CN)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is YFKUOVFOJBEAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-6(5-15)9-7(10(12,13)14)3-2-4-8(9)11/h2-4,6H,5,15H2,1H3.
What are the key properties of 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine?
2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 237.65 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117347970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).