(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine

C13H15ClF3N — CID 171227119

IUPAC(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine
SMILESN[C@H](c1ccc(Cl)cc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H15ClF3N/c14-9-5-6-10(11(7-9)13(15,16)17)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m0/s1
InChIKeyHIRHRHXJFXMLJD-LBPRGKRZSA-N
MW277.72 g/mol
LogP4.55
Rot. Bonds2

About (S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine

(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine (PubChem CID 171227119) has the molecular formula C13H15ClF3N and a molecular weight of 277.72 g/mol. Its IUPAC name is (S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine.

Molecular Properties

Compound Name(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine
PubChem CID171227119
Molecular FormulaC13H15ClF3N
Molecular Weight277.72 g/mol
Exact Mass277.08
IUPAC Name(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine
SMILESN[C@H](c1ccc(Cl)cc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H15ClF3N/c14-9-5-6-10(11(7-9)13(15,16)17)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m0/s1
InChIKeyHIRHRHXJFXMLJD-LBPRGKRZSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
(1R,2S)-2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclobutylethanol
CID 171268985
(R)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131415856
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131397243
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169

Frequently Asked Questions

What is the IUPAC name of (S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine?
The IUPAC name of (S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine (CID 171227119) is (S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine.
What is the SMILES notation for (S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine?
The canonical SMILES for (S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine is N[C@H](c1ccc(Cl)cc1C(F)(F)F)C1CCCC1.
What is the InChIKey of (S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine?
The InChIKey is HIRHRHXJFXMLJD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15ClF3N/c14-9-5-6-10(11(7-9)13(15,16)17)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m0/s1.
What are the key properties of (S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine?
(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine has a molecular weight of 277.72 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine is sourced from PubChem (CID 171227119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).