N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine

C15H20F3N — CID 58954931

IUPACN-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
SMILESCNCC1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C15H20F3N/c1-19-11-14(8-3-2-4-9-14)12-6-5-7-13(10-12)15(16,17)18/h5-7,10,19H,2-4,8-9,11H2,1H3
InChIKeyYNJHBZUBKJKAEC-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.13
Rot. Bonds3

About N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine

N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine (PubChem CID 58954931) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
PubChem CID58954931
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
SMILESCNCC1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C15H20F3N/c1-19-11-14(8-3-2-4-9-14)12-6-5-7-13(10-12)15(16,17)18/h5-7,10,19H,2-4,8-9,11H2,1H3
InChIKeyYNJHBZUBKJKAEC-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine (CID 58954931) is N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine is CNCC1(c2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
The InChIKey is YNJHBZUBKJKAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-19-11-14(8-3-2-4-9-14)12-6-5-7-13(10-12)15(16,17)18/h5-7,10,19H,2-4,8-9,11H2,1H3.
What are the key properties of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine has a molecular weight of 271.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 58954931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).