2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol

C15H14F3NO2 — CID 117243705

IUPAC2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol
SMILESNC(COc1cccc(C(F)(F)F)c1)c1ccccc1O
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)10-4-3-5-11(8-10)21-9-13(19)12-6-1-2-7-14(12)20/h1-8,13,20H,9,19H2
InChIKeyNEUXPRKMNYHRRL-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.49
Rot. Bonds4

About 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol

2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol (PubChem CID 117243705) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol.

Molecular Properties

Compound Name2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol
PubChem CID117243705
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol
SMILESNC(COc1cccc(C(F)(F)F)c1)c1ccccc1O
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)10-4-3-5-11(8-10)21-9-13(19)12-6-1-2-7-14(12)20/h1-8,13,20H,9,19H2
InChIKeyNEUXPRKMNYHRRL-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 117244014
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236740
1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
CID 117244595
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
methyl 2-bromo-3-[3-(trifluoromethyl)phenoxy]propanoate
CID 81092547
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
(E,2R)-1-[3-(trifluoromethyl)phenoxy]pent-3-en-2-ol
CID 58289073
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol?
The IUPAC name of 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol (CID 117243705) is 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol.
What is the SMILES notation for 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol?
The canonical SMILES for 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol is NC(COc1cccc(C(F)(F)F)c1)c1ccccc1O.
What is the InChIKey of 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol?
The InChIKey is NEUXPRKMNYHRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)10-4-3-5-11(8-10)21-9-13(19)12-6-1-2-7-14(12)20/h1-8,13,20H,9,19H2.
What are the key properties of 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol?
2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol has a molecular weight of 297.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol is sourced from PubChem (CID 117243705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).