5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile

C15H14N2O2 — CID 65341217

IUPAC5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(COc2ccc(N)cc2)cc1C#N
InChIInChI=1S/C15H14N2O2/c1-18-15-7-2-11(8-12(15)9-16)10-19-14-5-3-13(17)4-6-14/h2-8H,10,17H2,1H3
InChIKeyBKEQRYBTFAQDSR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.73
Rot. Bonds4

About 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile

5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile (PubChem CID 65341217) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
PubChem CID65341217
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(COc2ccc(N)cc2)cc1C#N
InChIInChI=1S/C15H14N2O2/c1-18-15-7-2-11(8-12(15)9-16)10-19-14-5-3-13(17)4-6-14/h2-8H,10,17H2,1H3
InChIKeyBKEQRYBTFAQDSR-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[3-(2-aminoethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339062
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 65344295
2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile
CID 106788610
3-[(3-amino-4-methoxyphenyl)methoxy]-5-methoxybenzonitrile
CID 103566547
5-[[3-(chloromethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339485
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763
5-[[4-(aminomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 65338380
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
5-(aminomethyl)-2-methoxybenzonitrile;hydrochloride
CID 71756830
4-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19626867
2-methoxy-5-(phenylmethoxymethyl)benzonitrile
CID 65343797

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile (CID 65341217) is 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile is COc1ccc(COc2ccc(N)cc2)cc1C#N.
What is the InChIKey of 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile?
The InChIKey is BKEQRYBTFAQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-15-7-2-11(8-12(15)9-16)10-19-14-5-3-13(17)4-6-14/h2-8H,10,17H2,1H3.
What are the key properties of 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile?
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile 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 5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65341217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).