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

C16H22F3N — CID 105094933

IUPACN-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1ccccc1C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N/c1-11-5-3-4-6-14(11)15(20-2)12-7-9-13(10-8-12)16(17,18)19/h3-6,12-13,15,20H,7-10H2,1-2H3
InChIKeyZHUFMIKXAYZBBM-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.62
Rot. Bonds3

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

N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105094933) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105094933
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1ccccc1C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N/c1-11-5-3-4-6-14(11)15(20-2)12-7-9-13(10-8-12)16(17,18)19/h3-6,12-13,15,20H,7-10H2,1-2H3
InChIKeyZHUFMIKXAYZBBM-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
4-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 116952308
N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162186
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65400352
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154131
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105140713
1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105106692
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
[cyclooctyl-(2-methylphenyl)methyl]hydrazine
CID 105254975
N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148778
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105094933) is N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CNC(c1ccccc1C)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is ZHUFMIKXAYZBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11-5-3-4-6-14(11)15(20-2)12-7-9-13(10-8-12)16(17,18)19/h3-6,12-13,15,20H,7-10H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105094933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).