1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol

C15H14F3NO2 — CID 106695922

IUPAC1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESNc1cccc(C(O)Cc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)21-13-6-4-10(5-7-13)8-14(20)11-2-1-3-12(19)9-11/h1-7,9,14,20H,8,19H2
InChIKeyQXKDJPGTMMGKRK-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.44
Rot. Bonds4

About 1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol

1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 106695922) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID106695922
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESNc1cccc(C(O)Cc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)21-13-6-4-10(5-7-13)8-14(20)11-2-1-3-12(19)9-11/h1-7,9,14,20H,8,19H2
InChIKeyQXKDJPGTMMGKRK-UHFFFAOYSA-N
XLogP3.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 62606496
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
CID 106695875
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107105009
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256
dimethyl (2S,3R)-2-hydroxy-3-[[4-(trifluoromethoxy)phenyl]methyl]butanedioate
CID 59432804
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 106695922) is 1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol is Nc1cccc(C(O)Cc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is QXKDJPGTMMGKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)21-13-6-4-10(5-7-13)8-14(20)11-2-1-3-12(19)9-11/h1-7,9,14,20H,8,19H2.
What are the key properties of 1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 297.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 106695922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).