[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol

C13H11F2NO2 — CID 113325423

IUPAC[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol
SMILESNc1c(F)cc(F)cc1Oc1ccccc1CO
InChIInChI=1S/C13H11F2NO2/c14-9-5-10(15)13(16)12(6-9)18-11-4-2-1-3-8(11)7-17/h1-6,17H,7,16H2
InChIKeyHXERJUVSRCKDMQ-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.83
Rot. Bonds3

About [2-(2-amino-3,5-difluorophenoxy)phenyl]methanol

[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol (PubChem CID 113325423) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is [2-(2-amino-3,5-difluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol
PubChem CID113325423
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol
SMILESNc1c(F)cc(F)cc1Oc1ccccc1CO
InChIInChI=1S/C13H11F2NO2/c14-9-5-10(15)13(16)12(6-9)18-11-4-2-1-3-8(11)7-17/h1-6,17H,7,16H2
InChIKeyHXERJUVSRCKDMQ-UHFFFAOYSA-N
XLogP2.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.83
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-ethylphenoxy)-4,6-difluoroaniline
CID 113325409
2,4-difluoro-6-naphthalen-1-yloxyaniline
CID 115507262
[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
CID 116736523
2,4-difluoro-6-(2-methoxyphenoxy)aniline
CID 115507261
2,4-difluoro-6-(4-fluorophenoxy)aniline
CID 113325387
[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
CID 107100181
[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
CID 63654481
[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
CID 81331819
[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695
2-(2-amino-3,5-difluorophenoxy)ethanol
CID 115507300
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide
CID 63652229

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3,5-difluorophenoxy)phenyl]methanol?
The IUPAC name of [2-(2-amino-3,5-difluorophenoxy)phenyl]methanol (CID 113325423) is [2-(2-amino-3,5-difluorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-(2-amino-3,5-difluorophenoxy)phenyl]methanol?
The canonical SMILES for [2-(2-amino-3,5-difluorophenoxy)phenyl]methanol is Nc1c(F)cc(F)cc1Oc1ccccc1CO.
What is the InChIKey of [2-(2-amino-3,5-difluorophenoxy)phenyl]methanol?
The InChIKey is HXERJUVSRCKDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c14-9-5-10(15)13(16)12(6-9)18-11-4-2-1-3-8(11)7-17/h1-6,17H,7,16H2.
What are the key properties of [2-(2-amino-3,5-difluorophenoxy)phenyl]methanol?
[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol has a molecular weight of 251.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-3,5-difluorophenoxy)phenyl]methanol is sourced from PubChem (CID 113325423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).