4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine

C15H20F3N — CID 102756356

IUPAC4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)ccc1C1CC(C)CCC1N
InChIInChI=1S/C15H20F3N/c1-9-3-6-14(19)13(7-9)12-5-4-11(8-10(12)2)15(16,17)18/h4-5,8-9,13-14H,3,6-7,19H2,1-2H3
InChIKeyUNSKHHXTAWJYLD-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.24
Rot. Bonds1

About 4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine

4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 102756356) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID102756356
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)ccc1C1CC(C)CCC1N
InChIInChI=1S/C15H20F3N/c1-9-3-6-14(19)13(7-9)12-5-4-11(8-10(12)2)15(16,17)18/h4-5,8-9,13-14H,3,6-7,19H2,1-2H3
InChIKeyUNSKHHXTAWJYLD-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 102756353
2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
CID 102756361
1-(2,4-dimethylcyclohexyl)-2,4-dimethylbenzene
CID 23529825
N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
CID 102756432
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine
CID 102755798
4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81013148
2-[2-methyl-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 140555403
2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine
CID 104739397
N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81032659
4-tert-butyl-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014706
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 102756356) is 4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine is Cc1cc(C(F)(F)F)ccc1C1CC(C)CCC1N.
What is the InChIKey of 4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is UNSKHHXTAWJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-9-3-6-14(19)13(7-9)12-5-4-11(8-10(12)2)15(16,17)18/h4-5,8-9,13-14H,3,6-7,19H2,1-2H3.
What are the key properties of 4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 102756356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).