2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile

C18H20N2 — CID 82135629

IUPAC2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile
SMILESCCN(Cc1ccccc1)Cc1cccc(CC#N)c1
InChIInChI=1S/C18H20N2/c1-2-20(14-17-7-4-3-5-8-17)15-18-10-6-9-16(13-18)11-12-19/h3-10,13H,2,11,14-15H2,1H3
InChIKeyWJHIAOGJCJHHQH-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.77
Rot. Bonds6

About 2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile

2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile (PubChem CID 82135629) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile
PubChem CID82135629
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile
SMILESCCN(Cc1ccccc1)Cc1cccc(CC#N)c1
InChIInChI=1S/C18H20N2/c1-2-20(14-17-7-4-3-5-8-17)15-18-10-6-9-16(13-18)11-12-19/h3-10,13H,2,11,14-15H2,1H3
InChIKeyWJHIAOGJCJHHQH-UHFFFAOYSA-N
XLogP3.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[benzyl(propan-2-yl)amino]methyl]phenyl]acetonitrile
CID 82135626
2-[3-(N-ethylanilino)phenyl]acetonitrile
CID 57015161
4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886343
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014
2-[3-(N-phenylanilino)phenyl]acetonitrile
CID 141205110
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-ethylethanamine;ethene
CID 174895763
2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile
CID 60677065
3-[(dibenzylamino)methyl]benzonitrile
CID 39161516
ethanol;2-phenylacetonitrile
CID 70378956

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile?
The IUPAC name of 2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile (CID 82135629) is 2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile?
The canonical SMILES for 2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile is CCN(Cc1ccccc1)Cc1cccc(CC#N)c1.
What is the InChIKey of 2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile?
The InChIKey is WJHIAOGJCJHHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-20(14-17-7-4-3-5-8-17)15-18-10-6-9-16(13-18)11-12-19/h3-10,13H,2,11,14-15H2,1H3.
What are the key properties of 2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile?
2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile has a molecular weight of 264.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile is sourced from PubChem (CID 82135629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).