2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile

C15H14N2O2 — CID 62110948

IUPAC2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile
SMILESCOc1cc(N)ccc1OCc1ccccc1C#N
InChIInChI=1S/C15H14N2O2/c1-18-15-8-13(17)6-7-14(15)19-10-12-5-3-2-4-11(12)9-16/h2-8H,10,17H2,1H3
InChIKeyFNHIWKWSHKWJFM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.73
Rot. Bonds4

About 2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile

2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile (PubChem CID 62110948) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile
PubChem CID62110948
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile
SMILESCOc1cc(N)ccc1OCc1ccccc1C#N
InChIInChI=1S/C15H14N2O2/c1-18-15-8-13(17)6-7-14(15)19-10-12-5-3-2-4-11(12)9-16/h2-8H,10,17H2,1H3
InChIKeyFNHIWKWSHKWJFM-UHFFFAOYSA-N
XLogP2.73
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
2-[[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]methyl]benzonitrile
CID 63366594
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]benzonitrile
CID 29279674
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
2-[(2,5-dibromo-4-methoxyphenoxy)methyl]benzonitrile
CID 79415751
2-[[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile
CID 4264346
3-methoxy-4-phenylmethoxyaniline
CID 27226
2-[[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzonitrile
CID 4260267
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978
2-[(2-amino-4-chlorophenoxy)methyl]benzonitrile
CID 24704666
2-[(5-amino-2-methylphenoxy)methyl]-4-fluorobenzonitrile
CID 107902628
4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile
CID 103759966

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile?
The IUPAC name of 2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile (CID 62110948) is 2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile?
The canonical SMILES for 2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile is COc1cc(N)ccc1OCc1ccccc1C#N.
What is the InChIKey of 2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile?
The InChIKey is FNHIWKWSHKWJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-15-8-13(17)6-7-14(15)19-10-12-5-3-2-4-11(12)9-16/h2-8H,10,17H2,1H3.
What are the key properties of 2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile?
2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile is sourced from PubChem (CID 62110948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).