2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile

C15H14N2O2 — CID 43790331

IUPAC2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccccc1CNc1ccc(O)cc1
InChIInChI=1S/C15H14N2O2/c16-9-10-19-15-4-2-1-3-12(15)11-17-13-5-7-14(18)8-6-13/h1-8,17-18H,10-11H2
InChIKeyMJDJBODMZKCLCR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.91
Rot. Bonds5

About 2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile

2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile (PubChem CID 43790331) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile
PubChem CID43790331
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccccc1CNc1ccc(O)cc1
InChIInChI=1S/C15H14N2O2/c16-9-10-19-15-4-2-1-3-12(15)11-17-13-5-7-14(18)8-6-13/h1-8,17-18H,10-11H2
InChIKeyMJDJBODMZKCLCR-UHFFFAOYSA-N
XLogP2.91
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3,5-dimethylanilino)methyl]phenoxy]acetonitrile
CID 43763950
2-[2-[(3-bromo-4-fluoroanilino)methyl]phenoxy]acetonitrile
CID 104775999
2-[2-[(3-chloro-4-methylanilino)methyl]phenoxy]acetonitrile
CID 43757359
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-[2-[(4-bromo-3,5-dimethylanilino)methyl]phenoxy]acetonitrile
CID 107571945
2-[2-[(3,5-dichloro-4-fluoroanilino)methyl]phenoxy]acetonitrile
CID 107572613
2-[2-[(3-chloro-4-methoxyanilino)methyl]phenoxy]acetonitrile
CID 43758083
2-[2-[(2,3-dihydroxypropylamino)methyl]phenoxy]acetonitrile
CID 66176329
4-bromo-N-[(2-prop-2-ynoxyphenyl)methyl]aniline
CID 28616119
2-[2-[(1,3-thiazol-2-ylamino)methyl]phenoxy]acetonitrile
CID 79046493
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-[2-[(4-bromo-2,6-dimethylanilino)methyl]phenoxy]acetonitrile
CID 60944557

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile (CID 43790331) is 2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile is N#CCOc1ccccc1CNc1ccc(O)cc1.
What is the InChIKey of 2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile?
The InChIKey is MJDJBODMZKCLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-9-10-19-15-4-2-1-3-12(15)11-17-13-5-7-14(18)8-6-13/h1-8,17-18H,10-11H2.
What are the key properties of 2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile?
2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 43790331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).