4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile

C17H18N2O — CID 43191524

IUPAC4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
SMILESCOc1ccccc1CNC(C)c1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O/c1-13(15-9-7-14(11-18)8-10-15)19-12-16-5-3-4-6-17(16)20-2/h3-10,13,19H,12H2,1-2H3
InChIKeyJNKARDIOPXHHDJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.42
Rot. Bonds5

About 4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile

4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile (PubChem CID 43191524) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
PubChem CID43191524
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
SMILESCOc1ccccc1CNC(C)c1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O/c1-13(15-9-7-14(11-18)8-10-15)19-12-16-5-3-4-6-17(16)20-2/h3-10,13,19H,12H2,1-2H3
InChIKeyJNKARDIOPXHHDJ-UHFFFAOYSA-N
XLogP3.42
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-chlorophenyl)methylamino]ethyl]benzonitrile
CID 43192680
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
4-[1-[(3-bromo-2-hydroxyphenyl)methylamino]ethyl]benzonitrile
CID 61390878
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
2-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81347276
1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 47050200
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
4-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-3-methylbenzonitrile
CID 104930100
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile
CID 84817126

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile (CID 43191524) is 4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile is COc1ccccc1CNC(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile?
The InChIKey is JNKARDIOPXHHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(15-9-7-14(11-18)8-10-15)19-12-16-5-3-4-6-17(16)20-2/h3-10,13,19H,12H2,1-2H3.
What are the key properties of 4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile?
4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile is sourced from PubChem (CID 43191524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).