1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol

C14H14F3N3O — CID 60876066

IUPAC1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESNc1ccc(C(O)CNc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-3-6-13(19-7-10)20-8-12(21)9-1-4-11(18)5-2-9/h1-7,12,21H,8,18H2,(H,19,20)
InChIKeyOQVSNPPLIWPHLH-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.83
Rot. Bonds4

About 1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol

1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 60876066) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID60876066
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESNc1ccc(C(O)CNc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-3-6-13(19-7-10)20-8-12(21)9-1-4-11(18)5-2-9/h1-7,12,21H,8,18H2,(H,19,20)
InChIKeyOQVSNPPLIWPHLH-UHFFFAOYSA-N
XLogP2.83
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 100650710
N-(2-methylbutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 62693316
1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol
CID 61224926
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
1-(4-aminophenyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305563
2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 47083315
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115594979
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 115319990
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 60876066) is 1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol is Nc1ccc(C(O)CNc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is OQVSNPPLIWPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)10-3-6-13(19-7-10)20-8-12(21)9-1-4-11(18)5-2-9/h1-7,12,21H,8,18H2,(H,19,20).
What are the key properties of 1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 297.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 60876066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).