2-[3-(N-ethylanilino)phenyl]acetonitrile

C16H16N2 — CID 57015161

IUPAC2-[3-(N-ethylanilino)phenyl]acetonitrile
SMILESCCN(c1ccccc1)c1cccc(CC#N)c1
InChIInChI=1S/C16H16N2/c1-2-18(15-8-4-3-5-9-15)16-10-6-7-14(13-16)11-12-17/h3-10,13H,2,11H2,1H3
InChIKeyCZPYMYLTZSPVCV-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.91
Rot. Bonds4

About 2-[3-(N-ethylanilino)phenyl]acetonitrile

2-[3-(N-ethylanilino)phenyl]acetonitrile (PubChem CID 57015161) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[3-(N-ethylanilino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(N-ethylanilino)phenyl]acetonitrile
PubChem CID57015161
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-[3-(N-ethylanilino)phenyl]acetonitrile
SMILESCCN(c1ccccc1)c1cccc(CC#N)c1
InChIInChI=1S/C16H16N2/c1-2-18(15-8-4-3-5-9-15)16-10-6-7-14(13-16)11-12-17/h3-10,13H,2,11H2,1H3
InChIKeyCZPYMYLTZSPVCV-UHFFFAOYSA-N
XLogP3.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(N-ethylanilino)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(N-phenylanilino)phenyl]acetonitrile
CID 141205110
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile
CID 82135629
ethanol;2-phenylacetonitrile
CID 70378956
pentane;2-phenylacetonitrile
CID 175401788
2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile
CID 102623968
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014
3-(N-ethylanilino)benzaldehyde
CID 139661006
2-[3-[[benzyl(propan-2-yl)amino]methyl]phenyl]acetonitrile
CID 82135626
4-(cyanomethyl)-N-ethyl-N-phenylbenzamide
CID 82179228
2-(3-iodophenyl)acetonitrile
CID 2759368
acetic acid;2-phenylacetonitrile
CID 67811992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-ethylanilino)phenyl]acetonitrile?
The IUPAC name of 2-[3-(N-ethylanilino)phenyl]acetonitrile (CID 57015161) is 2-[3-(N-ethylanilino)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(N-ethylanilino)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(N-ethylanilino)phenyl]acetonitrile is CCN(c1ccccc1)c1cccc(CC#N)c1.
What is the InChIKey of 2-[3-(N-ethylanilino)phenyl]acetonitrile?
The InChIKey is CZPYMYLTZSPVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-18(15-8-4-3-5-9-15)16-10-6-7-14(13-16)11-12-17/h3-10,13H,2,11H2,1H3.
What are the key properties of 2-[3-(N-ethylanilino)phenyl]acetonitrile?
2-[3-(N-ethylanilino)phenyl]acetonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-ethylanilino)phenyl]acetonitrile is sourced from PubChem (CID 57015161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).