1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine

C9H9ClF3N — CID 78001930

IUPAC1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C9H9ClF3N/c1-5(14)6-3-2-4-7(8(6)10)9(11,12)13/h2-5H,14H2,1H3
InChIKeyRJYIRHYXEOQIOQ-UHFFFAOYSA-N
MW223.63 g/mol
LogP3.38
Rot. Bonds1

About 1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine

1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 78001930) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is 1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID78001930
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C9H9ClF3N/c1-5(14)6-3-2-4-7(8(6)10)9(11,12)13/h2-5H,14H2,1H3
InChIKeyRJYIRHYXEOQIOQ-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[(1R)-1-aminoethyl]-2-chlorophenyl]-1,1-difluoro-2-methylpropan-2-ol
CID 164873090
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242808
(1S,2R)-1-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171269660
(1R,2S)-1-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263985
(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171209424
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 171228970
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311801
(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 171263988
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]propanoic acid
CID 129389983
(1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine
CID 155687240
ethyl (3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]propanoate
CID 171209430
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine (CID 78001930) is 1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine is CC(N)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is RJYIRHYXEOQIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-5(14)6-3-2-4-7(8(6)10)9(11,12)13/h2-5H,14H2,1H3.
What are the key properties of 1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine?
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 223.63 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 78001930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).