3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile

C16H16N2O2 — CID 104843645

IUPAC3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile
SMILESCOc1cccc(CNc2ccc(C#N)cc2OC)c1
InChIInChI=1S/C16H16N2O2/c1-19-14-5-3-4-13(8-14)11-18-15-7-6-12(10-17)9-16(15)20-2/h3-9,18H,11H2,1-2H3
InChIKeyOYRSKPIPTKQSGE-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.19
Rot. Bonds5

About 3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile

3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile (PubChem CID 104843645) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile
PubChem CID104843645
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile
SMILESCOc1cccc(CNc2ccc(C#N)cc2OC)c1
InChIInChI=1S/C16H16N2O2/c1-19-14-5-3-4-13(8-14)11-18-15-7-6-12(10-17)9-16(15)20-2/h3-9,18H,11H2,1-2H3
InChIKeyOYRSKPIPTKQSGE-UHFFFAOYSA-N
XLogP3.19
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843630
4-[(3-bromophenyl)methylamino]-3-methoxybenzonitrile
CID 104843641
4-[(3,4-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 104848048
4-[(3-fluoro-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107686003
4-[(2,4-dimethoxyanilino)methyl]-3-methylbenzonitrile
CID 114479588
4-[(2-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843617
4-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 104848307
2-bromo-6-[(3-methoxyphenyl)methylamino]benzonitrile
CID 114880674
3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile
CID 104848009
4-[[(3-methoxyphenyl)methylamino]methyl]-3-methylbenzonitrile
CID 114479910
3-bromo-4-[(3-propoxyphenyl)methylamino]benzonitrile
CID 63444091
4-(4-hydroxybutylamino)-3-methoxybenzonitrile
CID 104848657

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile?
The IUPAC name of 3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile (CID 104843645) is 3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile?
The canonical SMILES for 3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile is COc1cccc(CNc2ccc(C#N)cc2OC)c1.
What is the InChIKey of 3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile?
The InChIKey is OYRSKPIPTKQSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-14-5-3-4-13(8-14)11-18-15-7-6-12(10-17)9-16(15)20-2/h3-9,18H,11H2,1-2H3.
What are the key properties of 3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile?
3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile is sourced from PubChem (CID 104843645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).