(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride

C14H19ClF3NS — CID 171211805

IUPAC(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1SC(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H18F3NS.ClH/c15-14(16,17)19-12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10;/h4-5,8-10,13H,1-3,6-7,18H2;1H/t13-;/m1./s1
InChIKeyCUPPQWFWHHETLI-BTQNPOSSSA-N
MW325.83 g/mol
LogP5.30
Rot. Bonds3

About (R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride

(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride (PubChem CID 171211805) has the molecular formula C14H19ClF3NS and a molecular weight of 325.83 g/mol. Its IUPAC name is (R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
PubChem CID171211805
Molecular FormulaC14H19ClF3NS
Molecular Weight325.83 g/mol
Exact Mass325.09
IUPAC Name(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1SC(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H18F3NS.ClH/c15-14(16,17)19-12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10;/h4-5,8-10,13H,1-3,6-7,18H2;1H/t13-;/m1./s1
InChIKeyCUPPQWFWHHETLI-BTQNPOSSSA-N
XLogP5.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.83
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine
CID 171231404
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
(1S)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171231397
(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 171211790
2-[(S)-amino(cyclohexyl)methyl]-4-(trifluoromethylsulfanyl)phenol;hydrochloride
CID 171255592
1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride
CID 171172586
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
cyclohexyl-(2-iodophenyl)methanamine
CID 112630996
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
(1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171211767
cycloheptyl-(2-iodophenyl)methanamine
CID 105027819

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride (CID 171211805) is (R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride is Cl.N[C@@H](c1ccccc1SC(F)(F)F)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride?
The InChIKey is CUPPQWFWHHETLI-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H18F3NS.ClH/c15-14(16,17)19-12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10;/h4-5,8-10,13H,1-3,6-7,18H2;1H/t13-;/m1./s1.
What are the key properties of (R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride?
(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride has a molecular weight of 325.83 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171211805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).