2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol

C15H20F3NO — CID 68674454

IUPAC2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCNCC1(c2ccc(C(F)(F)F)cc2)CCCCC1O
InChIInChI=1S/C15H20F3NO/c1-19-10-14(9-3-2-4-13(14)20)11-5-7-12(8-6-11)15(16,17)18/h5-8,13,19-20H,2-4,9-10H2,1H3
InChIKeySNIFWJLKAVDENZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.10
Rot. Bonds3

About 2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol

2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 68674454) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID68674454
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCNCC1(c2ccc(C(F)(F)F)cc2)CCCCC1O
InChIInChI=1S/C15H20F3NO/c1-19-10-14(9-3-2-4-13(14)20)11-5-7-12(8-6-11)15(16,17)18/h5-8,13,19-20H,2-4,9-10H2,1H3
InChIKeySNIFWJLKAVDENZ-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Bicyclo(2.2.1)heptan-2-ylmethanamine hydrochloride
CID 135027
1-[1-(4-Trifluoromethylphenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520319
6-Dimethylamino-4,4-diphenyl-5-methyl-3-hexanol hydrochloride
CID 44675
2-(4-Chloro-3-fluorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 68673525
2-[(Dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 68673933
trans-(1R,2S)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol
CID 58954977
trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol
CID 58954979
3-Heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride
CID 49615
3-(Methylamino)-1-(4-methylphenyl)-1-phenylpropan-2-ol;hydrochloride
CID 12549057
(6S)-6-(methylamino)-4,4-diphenylheptan-3-ol
CID 44374686
(6R)-6-(methylamino)-4,4-diphenylheptan-3-ol
CID 44374957
2-[4-[2-(Methylamino)ethyl]phenyl]ethanol
CID 84767968

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 68674454) is 2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol is CNCC1(c2ccc(C(F)(F)F)cc2)CCCCC1O.
What is the InChIKey of 2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is SNIFWJLKAVDENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-19-10-14(9-3-2-4-13(14)20)11-5-7-12(8-6-11)15(16,17)18/h5-8,13,19-20H,2-4,9-10H2,1H3.
What are the key properties of 2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 68674454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).