2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile

C15H14N2O — CID 18069564

IUPAC2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2ccccc2N)cc1
InChIInChI=1S/C15H14N2O/c16-10-9-12-5-7-14(8-6-12)18-11-13-3-1-2-4-15(13)17/h1-8H,9,11,17H2
InChIKeyKMSJZURABXHAFH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.91
Rot. Bonds4

About 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile

2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile (PubChem CID 18069564) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile
PubChem CID18069564
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2ccccc2N)cc1
InChIInChI=1S/C15H14N2O/c16-10-9-12-5-7-14(8-6-12)18-11-13-3-1-2-4-15(13)17/h1-8H,9,11,17H2
InChIKeyKMSJZURABXHAFH-UHFFFAOYSA-N
XLogP2.91
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile (CID 18069564) is 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile is N#CCc1ccc(OCc2ccccc2N)cc1.
What is the InChIKey of 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile?
The InChIKey is KMSJZURABXHAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-10-9-12-5-7-14(8-6-12)18-11-13-3-1-2-4-15(13)17/h1-8H,9,11,17H2.
What are the key properties of 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile?
2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 18069564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).