4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol

C15H20F3NO2 — CID 106127419

IUPAC4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F3NO2/c16-15(17,18)21-14-3-1-2-12(8-14)10-19-9-11-4-6-13(20)7-5-11/h1-3,8,11,13,19-20H,4-7,9-10H2
InChIKeyJHCCWYCVCFRVHM-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.23
Rot. Bonds5

About 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol

4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 106127419) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID106127419
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F3NO2/c16-15(17,18)21-14-3-1-2-12(8-14)10-19-9-11-4-6-13(20)7-5-11/h1-3,8,11,13,19-20H,4-7,9-10H2
InChIKeyJHCCWYCVCFRVHM-UHFFFAOYSA-N
XLogP3.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103643870
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
1-[3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 68777875
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95160740
1-(1,4-dithian-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103744771
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
CID 103700140
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302851
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol (CID 106127419) is 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol is OC1CCC(CNCc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is JHCCWYCVCFRVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c16-15(17,18)21-14-3-1-2-12(8-14)10-19-9-11-4-6-13(20)7-5-11/h1-3,8,11,13,19-20H,4-7,9-10H2.
What are the key properties of 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol?
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 303.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106127419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).