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

C15H20F3N — CID 62619930

IUPAC2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCC1CCCCC1(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-11-4-2-3-9-14(11,19)10-12-5-7-13(8-6-12)15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3
InChIKeyGXEONIHFGUCIGI-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.16
Rot. Bonds2

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

2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (PubChem CID 62619930) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
PubChem CID62619930
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCC1CCCCC1(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-11-4-2-3-9-14(11,19)10-12-5-7-13(8-6-12)15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3
InChIKeyGXEONIHFGUCIGI-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.16
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]methyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (CID 62619930) is 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is CC1CCCCC1(N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is GXEONIHFGUCIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-11-4-2-3-9-14(11,19)10-12-5-7-13(8-6-12)15(16,17)18/h5-8,11H,2-4,9-10,19H2,1H3.
What are the key properties of 2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.16, 2 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]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62619930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).