1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine

C17H24F3N — CID 81021876

IUPAC1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N/c1-16(2)9-8-13(11-21-3)15(10-16)12-4-6-14(7-5-12)17(18,19)20/h4-7,13,15,21H,8-11H2,1-3H3
InChIKeyAFBJDSVKPBFMSO-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.83
Rot. Bonds3

About 1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine

1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine (PubChem CID 81021876) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
PubChem CID81021876
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N/c1-16(2)9-8-13(11-21-3)15(10-16)12-4-6-14(7-5-12)17(18,19)20/h4-7,13,15,21H,8-11H2,1-3H3
InChIKeyAFBJDSVKPBFMSO-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030407
1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
CID 81030852
1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine
CID 106784571
1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine
CID 81021877
1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114523600
1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
CID 81030626
N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81028151
N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81022966
N-[[2-(3,4-difluorophenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81030415
1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine
CID 81027973
4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 81014967

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine (CID 81021876) is 1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine is CNCC1CCC(C)(C)CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is AFBJDSVKPBFMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-16(2)9-8-13(11-21-3)15(10-16)12-4-6-14(7-5-12)17(18,19)20/h4-7,13,15,21H,8-11H2,1-3H3.
What are the key properties of 1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine?
1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 299.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81021876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).