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

C14H18F3N — CID 62788683

IUPAC2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC1CCCCC1(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-10-4-2-3-9-13(10,18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10H,2-4,9,18H2,1H3
InChIKeyOBOPMEFHHFEZIM-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.07
Rot. Bonds1

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

2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 62788683) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID62788683
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC1CCCCC1(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-10-4-2-3-9-13(10,18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10H,2-4,9,18H2,1H3
InChIKeyOBOPMEFHHFEZIM-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 62788683) is 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine is CC1CCCCC1(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is OBOPMEFHHFEZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10-4-2-3-9-13(10,18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10H,2-4,9,18H2,1H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 62788683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).