3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile

C15H14N2O2 — CID 43247211

IUPAC3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1ccc(N)cc1COc1cccc(C#N)c1
InChIInChI=1S/C15H14N2O2/c1-18-15-6-5-13(17)8-12(15)10-19-14-4-2-3-11(7-14)9-16/h2-8H,10,17H2,1H3
InChIKeyCHQJAWVYBUPGFQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.73
Rot. Bonds4

About 3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile

3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile (PubChem CID 43247211) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile
PubChem CID43247211
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1ccc(N)cc1COc1cccc(C#N)c1
InChIInChI=1S/C15H14N2O2/c1-18-15-6-5-13(17)8-12(15)10-19-14-4-2-3-11(7-14)9-16/h2-8H,10,17H2,1H3
InChIKeyCHQJAWVYBUPGFQ-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-[(5-acetyl-2-methoxyphenyl)methoxy]benzonitrile
CID 4808187
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
CID 43247193
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
4-[(3-cyanophenoxy)methyl]-3-methylbenzonitrile
CID 114481500
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate
CID 115460593
3-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 43231297
3-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile?
The IUPAC name of 3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile (CID 43247211) is 3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile?
The canonical SMILES for 3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile is COc1ccc(N)cc1COc1cccc(C#N)c1.
What is the InChIKey of 3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile?
The InChIKey is CHQJAWVYBUPGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-15-6-5-13(17)8-12(15)10-19-14-4-2-3-11(7-14)9-16/h2-8H,10,17H2,1H3.
What are the key properties of 3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile?
3-[(5-amino-2-methoxyphenyl)methoxy]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 3-[(5-amino-2-methoxyphenyl)methoxy]benzonitrile is sourced from PubChem (CID 43247211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).