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

C15H20F3NO — CID 106124800

IUPAC4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)14-4-2-1-3-12(14)10-19-9-11-5-7-13(20)8-6-11/h1-4,11,13,19-20H,5-10H2
InChIKeyRGLYZTCRWLHPGX-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.35
Rot. Bonds4

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

4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 106124800) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID106124800
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)14-4-2-1-3-12(14)10-19-9-11-5-7-13(20)8-6-11/h1-4,11,13,19-20H,5-10H2
InChIKeyRGLYZTCRWLHPGX-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 162544005
methyl 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]acetate
CID 106133501
4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147038
N-[[4-(hydroxymethyl)cyclohexyl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91772069
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
CID 114146992
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215
2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 104857703
1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 63091103
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol (CID 106124800) is 4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol is OC1CCC(CNCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is RGLYZTCRWLHPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)14-4-2-1-3-12(14)10-19-9-11-5-7-13(20)8-6-11/h1-4,11,13,19-20H,5-10H2.
What are the key properties of 4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106124800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).