1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine

C17H24F3N — CID 105140403

IUPAC1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1ccc(C)c(C)c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C17H24F3N/c1-11-8-9-13(10-12(11)2)16(21-3)14-6-4-5-7-15(14)17(18,19)20/h8-10,14-16,21H,4-7H2,1-3H3
InChIKeyKQYBKVNROWVSIL-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.93
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine

1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105140403) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105140403
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1ccc(C)c(C)c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C17H24F3N/c1-11-8-9-13(10-12(11)2)16(21-3)14-6-4-5-7-15(14)17(18,19)20/h8-10,14-16,21H,4-7H2,1-3H3
InChIKeyKQYBKVNROWVSIL-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105090899
1-(2,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105145370
1-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105147062
1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105143022
1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027806
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
[6-bicyclo[3.1.0]hexanyl-(3,4-dimethylphenyl)methyl]hydrazine
CID 105300274
1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 104994251

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105140403) is 1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine is CNC(c1ccc(C)c(C)c1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is KQYBKVNROWVSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-11-8-9-13(10-12(11)2)16(21-3)14-6-4-5-7-15(14)17(18,19)20/h8-10,14-16,21H,4-7H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 299.38 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105140403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).