[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol

C15H20F3NO — CID 102609613

IUPAC[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)13-5-2-6-14(8-13)19-9-11-3-1-4-12(7-11)10-20/h1,3-4,7,13-14,19-20H,2,5-6,8-10H2
InChIKeyRZZNZHHJEWAOAQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.39
Rot. Bonds4

About [3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol

[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol (PubChem CID 102609613) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
PubChem CID102609613
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)13-5-2-6-14(8-13)19-9-11-3-1-4-12(7-11)10-20/h1,3-4,7,13-14,19-20H,2,5-6,8-10H2
InChIKeyRZZNZHHJEWAOAQ-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
CID 60977331
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 105401359
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol
CID 107229702
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106415094
N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide
CID 99626257
[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 103699215
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826
[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
CID 107229792
N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide
CID 99625244
3-[(cyclobutylamino)methyl]phenol
CID 62416890

Frequently Asked Questions

What is the IUPAC name of [3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol (CID 102609613) is [3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol is OCc1cccc(CNC2CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of [3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol?
The InChIKey is RZZNZHHJEWAOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)13-5-2-6-14(8-13)19-9-11-3-1-4-12(7-11)10-20/h1,3-4,7,13-14,19-20H,2,5-6,8-10H2.
What are the key properties of [3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol?
[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 102609613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).