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

C16H22F3N — CID 102752194

IUPAC4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)ccc1C1(N)CCC(C)(C)CC1
InChIInChI=1S/C16H22F3N/c1-11-10-12(16(17,18)19)4-5-13(11)15(20)8-6-14(2,3)7-9-15/h4-5,10H,6-9,20H2,1-3H3
InChIKeyVIGLIQAWYRXFIX-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.77
Rot. Bonds1

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

4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 102752194) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID102752194
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)ccc1C1(N)CCC(C)(C)CC1
InChIInChI=1S/C16H22F3N/c1-11-10-12(16(17,18)19)4-5-13(11)15(20)8-6-14(2,3)7-9-15/h4-5,10H,6-9,20H2,1-3H3
InChIKeyVIGLIQAWYRXFIX-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-methyl-4-(trifluoromethyl)phenyl]oxan-3-amine
CID 102752185
1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 84794185
1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 117337426
1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65313238
4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 102751652
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 80705627
3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 102755976
2-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 102751617
4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine
CID 112745500
2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
CID 117333734
ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 145295879
3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607895

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 102752194) is 4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine is Cc1cc(C(F)(F)F)ccc1C1(N)CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is VIGLIQAWYRXFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11-10-12(16(17,18)19)4-5-13(11)15(20)8-6-14(2,3)7-9-15/h4-5,10H,6-9,20H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 102752194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).