2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile

C17H18N2O2 — CID 63362795

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile
SMILESCOc1ccc(CNc2cc(C)ccc2C#N)c(OC)c1
InChIInChI=1S/C17H18N2O2/c1-12-4-5-13(10-18)16(8-12)19-11-14-6-7-15(20-2)9-17(14)21-3/h4-9,19H,11H2,1-3H3
InChIKeyFONWBFHEYJRKNX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.50
Rot. Bonds5

About 2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile

2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile (PubChem CID 63362795) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile
PubChem CID63362795
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile
SMILESCOc1ccc(CNc2cc(C)ccc2C#N)c(OC)c1
InChIInChI=1S/C17H18N2O2/c1-12-4-5-13(10-18)16(8-12)19-11-14-6-7-15(20-2)9-17(14)21-3/h4-9,19H,11H2,1-3H3
InChIKeyFONWBFHEYJRKNX-UHFFFAOYSA-N
XLogP3.50
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
CID 775191
2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 63362749
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
CID 114332634
2-[(2,5-difluorophenyl)methylamino]-4-methoxybenzonitrile
CID 81306790
2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile
CID 62306735
2-[(3-amino-4-methoxyphenyl)methylamino]-4-methylbenzonitrile
CID 62308863
4-[(2-cyano-5-methoxyanilino)methyl]-3-fluorobenzonitrile
CID 81297290
2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile
CID 81299307
2-bromo-6-[(2,4-dimethoxyphenyl)methylamino]benzonitrile
CID 114881040
4-[(2,4-dimethoxyanilino)methyl]-3-methylbenzonitrile
CID 114479588
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile (CID 63362795) is 2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile is COc1ccc(CNc2cc(C)ccc2C#N)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile?
The InChIKey is FONWBFHEYJRKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-4-5-13(10-18)16(8-12)19-11-14-6-7-15(20-2)9-17(14)21-3/h4-9,19H,11H2,1-3H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile?
2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile has a molecular weight of 282.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile is sourced from PubChem (CID 63362795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).