3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

C15H20F3NO — CID 43216462

IUPAC3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C15H20F3NO/c1-11-5-4-7-13(9-11)19-10-12-6-2-3-8-14(12)20-15(16,17)18/h2-3,6,8,11,13,19H,4-5,7,9-10H2,1H3
InChIKeyBYWAAUGUOLEBAE-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.25
Rot. Bonds4

About 3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (PubChem CID 43216462) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
PubChem CID43216462
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C15H20F3NO/c1-11-5-4-7-13(9-11)19-10-12-6-2-3-8-14(12)20-15(16,17)18/h2-3,6,8,11,13,19H,4-5,7,9-10H2,1H3
InChIKeyBYWAAUGUOLEBAE-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclohexyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 166180379
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine
CID 63360178
methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115708068
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine
CID 61221925
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 54848643
3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine
CID 43317674

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (CID 43216462) is 3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is CC1CCCC(NCc2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is BYWAAUGUOLEBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-11-5-4-7-13(9-11)19-10-12-6-2-3-8-14(12)20-15(16,17)18/h2-3,6,8,11,13,19H,4-5,7,9-10H2,1H3.
What are the key properties of 3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 43216462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).