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

C14H19ClF3N — CID 171206677

IUPAC(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H18F3N.ClH/c15-14(16,17)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
InChIKeyRTQHDQJHLZWSGY-BTQNPOSSSA-N
MW293.76 g/mol
LogP4.71
Rot. Bonds2

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

(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 171206677) has the molecular formula C14H19ClF3N and a molecular weight of 293.76 g/mol. Its IUPAC name is (R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID171206677
Molecular FormulaC14H19ClF3N
Molecular Weight293.76 g/mol
Exact Mass293.12
IUPAC Name(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H18F3N.ClH/c15-14(16,17)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
InChIKeyRTQHDQJHLZWSGY-BTQNPOSSSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171227390
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
CID 171211805
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171227119
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115997940
(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171231037
thiolan-2-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 80621510

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 171206677) is (R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.N[C@@H](c1ccccc1C(F)(F)F)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is RTQHDQJHLZWSGY-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H18F3N.ClH/c15-14(16,17)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-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 293.76 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171206677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).