2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol

C13H17F3N2O — CID 62359958

IUPAC2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESNc1ccc(NC2CCCCC2O)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)9-7-8(17)5-6-10(9)18-11-3-1-2-4-12(11)19/h5-7,11-12,18-19H,1-4,17H2
InChIKeyQTNKBIXVYUGQQR-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.00
Rot. Bonds2

About 2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol

2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol (PubChem CID 62359958) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol
PubChem CID62359958
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESNc1ccc(NC2CCCCC2O)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)9-7-8(17)5-6-10(9)18-11-3-1-2-4-12(11)19/h5-7,11-12,18-19H,1-4,17H2
InChIKeyQTNKBIXVYUGQQR-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol?
The IUPAC name of 2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol (CID 62359958) is 2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol is Nc1ccc(NC2CCCCC2O)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol?
The InChIKey is QTNKBIXVYUGQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)9-7-8(17)5-6-10(9)18-11-3-1-2-4-12(11)19/h5-7,11-12,18-19H,1-4,17H2.
What are the key properties of 2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol?
2-[4-amino-2-(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 2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 62359958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).