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

C13H17F3N2O — CID 28902491

IUPAC4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESNc1ccc(NC2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-7-9(3-6-12(11)17)18-8-1-4-10(19)5-2-8/h3,6-8,10,18-19H,1-2,4-5,17H2
InChIKeyOVHMRCDQZWPJOO-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.00
Rot. Bonds2

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

4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol (PubChem CID 28902491) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol
PubChem CID28902491
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESNc1ccc(NC2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-7-9(3-6-12(11)17)18-8-1-4-10(19)5-2-8/h3,6-8,10,18-19H,1-2,4-5,17H2
InChIKeyOVHMRCDQZWPJOO-UHFFFAOYSA-N
XLogP3.00
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70681012
cis-(1S,5R)-3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70687374
N-(trans-4-hydroxycyclohexyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 60765046
2-((4-Amino-2-(trifluoromethyl)phenyl)amino)ethanol
CID 14473049
1-(4-Amino-3-methylphenyl)piperidin-4-ol
CID 43436160
cis-(1R,2R)-2-anilino-1-(trifluoromethyl)cyclohexan-1-ol
CID 172464425
1-(4-Amino-3-methylphenyl)piperidin-3-ol
CID 43502899
1-[4-Amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 53408258
trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 11172972
6-[4-(Trifluoromethyl)anilino]hexan-1-ol
CID 103801964
2-(3-Toluidino)cyclohexanol
CID 12397121
3-[(4-Hydroxycyclohexyl)amino]benzonitrile
CID 84126354

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol (CID 28902491) is 4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol is Nc1ccc(NC2CCC(O)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol?
The InChIKey is OVHMRCDQZWPJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)11-7-9(3-6-12(11)17)18-8-1-4-10(19)5-2-8/h3,6-8,10,18-19H,1-2,4-5,17H2.
What are the key properties of 4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol?
4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol has a molecular weight of 274.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 28902491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).