1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C16H22F3N — CID 102753668

IUPAC1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1C)C1CCCCC1
InChIInChI=1S/C16H22F3N/c1-11-10-13(16(17,18)19)8-9-14(11)15(20-2)12-6-4-3-5-7-12/h8-10,12,15,20H,3-7H2,1-2H3
InChIKeyTZRYSSYFMNWVJQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.85
Rot. Bonds3

About 1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102753668) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102753668
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1C)C1CCCCC1
InChIInChI=1S/C16H22F3N/c1-11-10-13(16(17,18)19)8-9-14(11)15(20-2)12-6-4-3-5-7-12/h8-10,12,15,20H,3-7H2,1-2H3
InChIKeyTZRYSSYFMNWVJQ-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(thiolan-3-yl)methanamine
CID 102757902
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine
CID 105049563
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 107191625
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102757776
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-cycloheptyl-N-methylmethanamine
CID 82932687
cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758
1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82932850

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102753668) is 1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(C(F)(F)F)cc1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is TZRYSSYFMNWVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11-10-13(16(17,18)19)8-9-14(11)15(20-2)12-6-4-3-5-7-12/h8-10,12,15,20H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102753668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).