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

C14H18F3NO2 — CID 80561273

IUPAC3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)20-12-5-3-10(4-6-12)8-13(19)7-1-2-11(18)9-13/h3-6,11,19H,1-2,7-9,18H2
InChIKeyMBALBRTWPDOVBI-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.76
Rot. Bonds3

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

3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol (PubChem CID 80561273) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol
PubChem CID80561273
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)20-12-5-3-10(4-6-12)8-13(19)7-1-2-11(18)9-13/h3-6,11,19H,1-2,7-9,18H2
InChIKeyMBALBRTWPDOVBI-UHFFFAOYSA-N
XLogP2.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65148770
4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65145878
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841
3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 64733749
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
CID 62740964
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 142237091
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
CID 119381637
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
[4-(trifluoromethoxy)phenyl] 2-(1-hydroxycyclohexyl)acetate
CID 91574201

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol?
The IUPAC name of 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol (CID 80561273) is 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol is NC1CCCC(O)(Cc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is MBALBRTWPDOVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)20-12-5-3-10(4-6-12)8-13(19)7-1-2-11(18)9-13/h3-6,11,19H,1-2,7-9,18H2.
What are the key properties of 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol?
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 289.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80561273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).