1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

C15H20F3NO — CID 63454373

IUPAC1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESCC1(NCc2ccc(OC(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C15H20F3NO/c1-14(9-3-2-4-10-14)19-11-12-5-7-13(8-6-12)20-15(16,17)18/h5-8,19H,2-4,9-11H2,1H3
InChIKeyVKODSHXFSOLUBW-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.40
Rot. Bonds4

About 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (PubChem CID 63454373) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
PubChem CID63454373
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESCC1(NCc2ccc(OC(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C15H20F3NO/c1-14(9-3-2-4-10-14)19-11-12-5-7-13(8-6-12)20-15(16,17)18/h5-8,19H,2-4,9-11H2,1H3
InChIKeyVKODSHXFSOLUBW-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 65025042
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 107342298
[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol
CID 115763085
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine
CID 63456305
1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365160
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411
[1-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915
N-[(1-methylsulfanylcyclopropyl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 107267440
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 82709084

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (CID 63454373) is 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is CC1(NCc2ccc(OC(F)(F)F)cc2)CCCCC1.
What is the InChIKey of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is VKODSHXFSOLUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-14(9-3-2-4-10-14)19-11-12-5-7-13(8-6-12)20-15(16,17)18/h5-8,19H,2-4,9-11H2,1H3.
What are the key properties of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63454373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).