2-[(2-phenoxyanilino)methyl]phenol

C19H17NO2 — CID 43823583

IUPAC2-[(2-phenoxyanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H17NO2/c21-18-12-6-4-8-15(18)14-20-17-11-5-7-13-19(17)22-16-9-2-1-3-10-16/h1-13,20-21H,14H2
InChIKeyAZRRSGUWWHWTCD-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.80
Rot. Bonds5

About 2-[(2-phenoxyanilino)methyl]phenol

2-[(2-phenoxyanilino)methyl]phenol (PubChem CID 43823583) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(2-phenoxyanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(2-phenoxyanilino)methyl]phenol
PubChem CID43823583
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-[(2-phenoxyanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H17NO2/c21-18-12-6-4-8-15(18)14-20-17-11-5-7-13-19(17)22-16-9-2-1-3-10-16/h1-13,20-21H,14H2
InChIKeyAZRRSGUWWHWTCD-UHFFFAOYSA-N
XLogP4.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.80
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

N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
2-(3,4-dihydroxyphenyl)-N-(2-phenoxyphenyl)acetamide
CID 113199162
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
4-[(2-phenoxyphenyl)methylamino]benzoic acid
CID 71055366
N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline
CID 29041025
2-[[2-(hydroxymethyl)anilino]methyl]phenol
CID 43743175
N-but-2-ynyl-2-phenoxyaniline
CID 62309532
2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline
CID 62758918
N-[2-(2-phenoxyanilino)ethyl]acetamide
CID 103604146
2-[(2-methylanilino)methyl]phenol
CID 3240149
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline
CID 106437297

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyanilino)methyl]phenol?
The IUPAC name of 2-[(2-phenoxyanilino)methyl]phenol (CID 43823583) is 2-[(2-phenoxyanilino)methyl]phenol.
What is the SMILES notation for 2-[(2-phenoxyanilino)methyl]phenol?
The canonical SMILES for 2-[(2-phenoxyanilino)methyl]phenol is Oc1ccccc1CNc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[(2-phenoxyanilino)methyl]phenol?
The InChIKey is AZRRSGUWWHWTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-18-12-6-4-8-15(18)14-20-17-11-5-7-13-19(17)22-16-9-2-1-3-10-16/h1-13,20-21H,14H2.
What are the key properties of 2-[(2-phenoxyanilino)methyl]phenol?
2-[(2-phenoxyanilino)methyl]phenol has a molecular weight of 291.35 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyanilino)methyl]phenol is sourced from PubChem (CID 43823583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).