2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile

C17H18N2O — CID 60646313

IUPAC2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
SMILESCOc1cccc(CN(C)Cc2ccccc2C#N)c1
InChIInChI=1S/C17H18N2O/c1-19(12-14-6-5-9-17(10-14)20-2)13-16-8-4-3-7-15(16)11-18/h3-10H,12-13H2,1-2H3
InChIKeyFLIQDNZSAWSHQO-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.20
Rot. Bonds5

About 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile

2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile (PubChem CID 60646313) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
PubChem CID60646313
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
SMILESCOc1cccc(CN(C)Cc2ccccc2C#N)c1
InChIInChI=1S/C17H18N2O/c1-19(12-14-6-5-9-17(10-14)20-2)13-16-8-4-3-7-15(16)11-18/h3-10H,12-13H2,1-2H3
InChIKeyFLIQDNZSAWSHQO-UHFFFAOYSA-N
XLogP3.20
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921449
N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656670
2-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 27099090
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064
2-fluoro-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]benzonitrile
CID 103912076
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
4-[[(2-bromophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 106788068
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 106788061
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 65344353
5-[[(2-aminophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 65339662

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile?
The IUPAC name of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile (CID 60646313) is 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile?
The canonical SMILES for 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile is COc1cccc(CN(C)Cc2ccccc2C#N)c1.
What is the InChIKey of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile?
The InChIKey is FLIQDNZSAWSHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19(12-14-6-5-9-17(10-14)20-2)13-16-8-4-3-7-15(16)11-18/h3-10H,12-13H2,1-2H3.
What are the key properties of 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile?
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile is sourced from PubChem (CID 60646313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).