1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine

C15H20F3NO2 — CID 117488350

IUPAC1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCOc1cc(C(F)(F)F)c(C2(N)CCCCC2)cc1OC
InChIInChI=1S/C15H20F3NO2/c1-20-12-8-10(14(19)6-4-3-5-7-14)11(15(16,17)18)9-13(12)21-2/h8-9H,3-7,19H2,1-2H3
InChIKeyMGZCDOWTANUDTI-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.84
Rot. Bonds3

About 1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine

1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 117488350) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID117488350
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCOc1cc(C(F)(F)F)c(C2(N)CCCCC2)cc1OC
InChIInChI=1S/C15H20F3NO2/c1-20-12-8-10(14(19)6-4-3-5-7-14)11(15(16,17)18)9-13(12)21-2/h8-9H,3-7,19H2,1-2H3
InChIKeyMGZCDOWTANUDTI-UHFFFAOYSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminocyclopentyl)-5-(trifluoromethyl)benzene-1,2-diol
CID 117406727
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(1-isocyanatocyclobutyl)-4,5-dimethoxy-2-(trifluoromethyl)benzene
CID 117485360
4-(1-aminocyclobutyl)-5-(trifluoromethyl)benzene-1,2-diol
CID 117369621
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol
CID 117377061
1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
CID 117389108
1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine
CID 117391217
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117439908

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 117488350) is 1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine is COc1cc(C(F)(F)F)c(C2(N)CCCCC2)cc1OC.
What is the InChIKey of 1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is MGZCDOWTANUDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-20-12-8-10(14(19)6-4-3-5-7-14)11(15(16,17)18)9-13(12)21-2/h8-9H,3-7,19H2,1-2H3.
What are the key properties of 1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 303.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117488350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).