1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine

C14H17F4N — CID 64757984

IUPAC1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ccc(F)cc1C1(N)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17F4N/c1-9-4-5-11(15)7-12(9)13(19)6-2-3-10(8-13)14(16,17)18/h4-5,7,10H,2-3,6,8,19H2,1H3
InChIKeyVBAVUFHAMRSDSX-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.04
Rot. Bonds1

About 1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757984) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757984
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ccc(F)cc1C1(N)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17F4N/c1-9-4-5-11(15)7-12(9)13(19)6-2-3-10(8-13)14(16,17)18/h4-5,7,10H,2-3,6,8,19H2,1H3
InChIKeyVBAVUFHAMRSDSX-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524
1-(5-fluoro-2-methylphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692665
1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 65099983
3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol
CID 80561274
3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride
CID 166607949
1-[(3,5-dimethylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758388
1-(5-fluoro-2-methylphenyl)-3-methylcyclohexan-1-ol
CID 62788300
1-(5-fluoro-2-methylphenyl)-2-methylcyclopentan-1-ol
CID 65049665
1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759410
3-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)cyclohexan-1-amine
CID 107512498
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
1-(2,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64515768

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757984) is 1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine is Cc1ccc(F)cc1C1(N)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VBAVUFHAMRSDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-9-4-5-11(15)7-12(9)13(19)6-2-3-10(8-13)14(16,17)18/h4-5,7,10H,2-3,6,8,19H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 275.29 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).