(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine

C9H9ClF3N — CID 71074670

IUPAC(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@H](N)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H9ClF3N/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-5H,14H2,1H3/t5-/m0/s1
InChIKeyYJWDXKUMDAATTM-YFKPBYRVSA-N
MW223.63 g/mol
LogP3.38
Rot. Bonds1

About (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine

(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine (PubChem CID 71074670) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
PubChem CID71074670
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@H](N)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H9ClF3N/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-5H,14H2,1H3/t5-/m0/s1
InChIKeyYJWDXKUMDAATTM-YFKPBYRVSA-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

Analyze (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]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

(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131404288
(1R,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171160035
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229213
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
2-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117349702
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 171209582
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine
CID 171313176
1-[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82783494
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171209583

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine (CID 71074670) is (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine is C[C@H](N)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YJWDXKUMDAATTM-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-5H,14H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine?
(1S)-1-[2-chloro-5-(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 (1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 71074670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).