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

C14H18F3NO — CID 80562098

IUPAC3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-5-3-10(4-6-11)8-13(19)7-1-2-12(18)9-13/h3-6,12,19H,1-2,7-9,18H2
InChIKeySJNPYAVLKDORIX-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.88
Rot. Bonds2

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

3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol (PubChem CID 80562098) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
PubChem CID80562098
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-5-3-10(4-6-11)8-13(19)7-1-2-12(18)9-13/h3-6,12,19H,1-2,7-9,18H2
InChIKeySJNPYAVLKDORIX-UHFFFAOYSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-[[4-(trifluoromethyl)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

3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol
CID 80561273
3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154318
3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145739
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841
2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65153585
3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
CID 106823679
1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106874139
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 106874015
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62620107
cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 139444270

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The IUPAC name of 3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol (CID 80562098) is 3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol is NC1CCCC(O)(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is SJNPYAVLKDORIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)11-5-3-10(4-6-11)8-13(19)7-1-2-12(18)9-13/h3-6,12,19H,1-2,7-9,18H2.
What are the key properties of 3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80562098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).