4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline

C17H24F3N — CID 63456101

IUPAC4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCc1ccc(NC2CC(C)CC(C)(C)C2)cc1C(F)(F)F
InChIInChI=1S/C17H24F3N/c1-11-7-14(10-16(3,4)9-11)21-13-6-5-12(2)15(8-13)17(18,19)20/h5-6,8,11,14,21H,7,9-10H2,1-4H3
InChIKeyQKCIOHGNJJXCMZ-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.64
Rot. Bonds2

About 4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline

4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline (PubChem CID 63456101) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline.

Molecular Properties

Compound Name4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline
PubChem CID63456101
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCc1ccc(NC2CC(C)CC(C)(C)C2)cc1C(F)(F)F
InChIInChI=1S/C17H24F3N/c1-11-7-14(10-16(3,4)9-11)21-13-6-5-12(2)15(8-13)17(18,19)20/h5-6,8,11,14,21H,7,9-10H2,1-4H3
InChIKeyQKCIOHGNJJXCMZ-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
(1-Phenyl-ethyl)-P-tolyl-amine
CID 263002
Ethyl(2-naphthyl)amine
CID 75530
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640
Amiflamine
CID 71221
N-methyl-4'-(trifluoromethyl)-4-biphenylamine
CID 23625978
4-(Dimethylamino)-alpha,2-dimethylphenethylamine
CID 3043606
N,3,4-trimethylaniline
CID 12377758
Bis(3,4-dimethylphenyl)amine
CID 614511
(1S,13R)-10-(cyclopropylmethyl)-N-ethyl-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
CID 44298198
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-yl)-methyl-amine
CID 44298233
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[4-(trifluoromethyl)phenyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
CID 44381357

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline?
The IUPAC name of 4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline (CID 63456101) is 4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline.
What is the SMILES notation for 4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline?
The canonical SMILES for 4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline is Cc1ccc(NC2CC(C)CC(C)(C)C2)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline?
The InChIKey is QKCIOHGNJJXCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-11-7-14(10-16(3,4)9-11)21-13-6-5-12(2)15(8-13)17(18,19)20/h5-6,8,11,14,21H,7,9-10H2,1-4H3.
What are the key properties of 4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline?
4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline has a molecular weight of 299.38 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline is sourced from PubChem (CID 63456101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).