(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine

C14H17ClF3N — CID 171227177

IUPAC(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
SMILESN[C@H](c1c(Cl)cccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H17ClF3N/c15-11-8-4-7-10(14(16,17)18)12(11)13(19)9-5-2-1-3-6-9/h4,7-9,13H,1-3,5-6,19H2/t13-/m0/s1
InChIKeyUKOVGQYUBMNNNO-ZDUSSCGKSA-N
MW291.74 g/mol
LogP4.94
Rot. Bonds2

About (S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine

(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine (PubChem CID 171227177) has the molecular formula C14H17ClF3N and a molecular weight of 291.74 g/mol. Its IUPAC name is (S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine.

Molecular Properties

Compound Name(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
PubChem CID171227177
Molecular FormulaC14H17ClF3N
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC Name(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
SMILESN[C@H](c1c(Cl)cccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H17ClF3N/c15-11-8-4-7-10(14(16,17)18)12(11)13(19)9-5-2-1-3-6-9/h4,7-9,13H,1-3,5-6,19H2/t13-/m0/s1
InChIKeyUKOVGQYUBMNNNO-ZDUSSCGKSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
CID 130683085
(R)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclopentylmethanamine;hydrochloride
CID 171209273
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
(R)-[3-chloro-4-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171215256
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
(S)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171235278
(R)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171215645
(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171227390
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
CID 130166021

Frequently Asked Questions

What is the IUPAC name of (S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine?
The IUPAC name of (S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine (CID 171227177) is (S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine.
What is the SMILES notation for (S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine?
The canonical SMILES for (S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine is N[C@H](c1c(Cl)cccc1C(F)(F)F)C1CCCCC1.
What is the InChIKey of (S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine?
The InChIKey is UKOVGQYUBMNNNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17ClF3N/c15-11-8-4-7-10(14(16,17)18)12(11)13(19)9-5-2-1-3-6-9/h4,7-9,13H,1-3,5-6,19H2/t13-/m0/s1.
What are the key properties of (S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine?
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine has a molecular weight of 291.74 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine is sourced from PubChem (CID 171227177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).