(1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine

C15H20F3N — CID 106830058

IUPAC(1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCC1(C(N)c2ccccc2C(F)(F)F)CCCCC1
InChIInChI=1S/C15H20F3N/c1-14(9-5-2-6-10-14)13(19)11-7-3-4-8-12(11)15(16,17)18/h3-4,7-8,13H,2,5-6,9-10,19H2,1H3
InChIKeyDQXBEUDLEVLHSM-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.68
Rot. Bonds2

About (1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine

(1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 106830058) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is (1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID106830058
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name(1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCC1(C(N)c2ccccc2C(F)(F)F)CCCCC1
InChIInChI=1S/C15H20F3N/c1-14(9-5-2-6-10-14)13(19)11-7-3-4-8-12(11)15(16,17)18/h3-4,7-8,13H,2,5-6,9-10,19H2,1H3
InChIKeyDQXBEUDLEVLHSM-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine
CID 106830418
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
N-methyl-1-(1-methylcyclohexyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106830738
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 113348726
[(2,2-dimethylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107005670
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine (CID 106830058) is (1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine is CC1(C(N)c2ccccc2C(F)(F)F)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DQXBEUDLEVLHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-14(9-5-2-6-10-14)13(19)11-7-3-4-8-12(11)15(16,17)18/h3-4,7-8,13H,2,5-6,9-10,19H2,1H3.
What are the key properties of (1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine?
(1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 271.33 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 106830058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).