2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol

C15H14F3NO2 — CID 107711923

IUPAC2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol
SMILESNc1ccc(Oc2ccccc2CCO)c(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)12-9-11(19)5-6-14(12)21-13-4-2-1-3-10(13)7-8-20/h1-6,9,20H,7-8,19H2
InChIKeyWVZDPDQGEBHRNR-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.61
Rot. Bonds4

About 2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol

2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol (PubChem CID 107711923) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol
PubChem CID107711923
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol
SMILESNc1ccc(Oc2ccccc2CCO)c(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)12-9-11(19)5-6-14(12)21-13-4-2-1-3-10(13)7-8-20/h1-6,9,20H,7-8,19H2
InChIKeyWVZDPDQGEBHRNR-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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

2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107713703
2-[2-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107712058
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
4-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]-N-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]anilino]phenoxy]-3-(trifluoromethyl)aniline
CID 90293468
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
4-[2-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline
CID 18793542
2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
CID 70462198
3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
CID 107713832
3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 60986559
3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline
CID 63735664
2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
CID 107926570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol (CID 107711923) is 2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol is Nc1ccc(Oc2ccccc2CCO)c(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol?
The InChIKey is WVZDPDQGEBHRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)12-9-11(19)5-6-14(12)21-13-4-2-1-3-10(13)7-8-20/h1-6,9,20H,7-8,19H2.
What are the key properties of 2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol?
2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol has a molecular weight of 297.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 107711923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).