2,3-bis[3-(dimethylamino)phenyl]propanenitrile

C19H23N3 — CID 82141215

IUPAC2,3-bis[3-(dimethylamino)phenyl]propanenitrile
SMILESCN(C)c1cccc(CC(C#N)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C19H23N3/c1-21(2)18-9-5-7-15(12-18)11-17(14-20)16-8-6-10-19(13-16)22(3)4/h5-10,12-13,17H,11H2,1-4H3
InChIKeyYHJVQIJKADMWPY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.67
Rot. Bonds5

About 2,3-bis[3-(dimethylamino)phenyl]propanenitrile

2,3-bis[3-(dimethylamino)phenyl]propanenitrile (PubChem CID 82141215) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2,3-bis[3-(dimethylamino)phenyl]propanenitrile.

Molecular Properties

Compound Name2,3-bis[3-(dimethylamino)phenyl]propanenitrile
PubChem CID82141215
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2,3-bis[3-(dimethylamino)phenyl]propanenitrile
SMILESCN(C)c1cccc(CC(C#N)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C19H23N3/c1-21(2)18-9-5-7-15(12-18)11-17(14-20)16-8-6-10-19(13-16)22(3)4/h5-10,12-13,17H,11H2,1-4H3
InChIKeyYHJVQIJKADMWPY-UHFFFAOYSA-N
XLogP3.67
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile
CID 82141191
2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile
CID 82140750
3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
CID 82141211
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
CID 82140863
2-[4-(dimethylamino)phenyl]-3-phenylpropanenitrile
CID 82139261
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
[3-(dimethylamino)phenyl]methanethiol
CID 83792343
2-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-4-oxobutanenitrile
CID 82138969
3-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylaniline
CID 105085030
3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105096089

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[3-(dimethylamino)phenyl]propanenitrile?
The IUPAC name of 2,3-bis[3-(dimethylamino)phenyl]propanenitrile (CID 82141215) is 2,3-bis[3-(dimethylamino)phenyl]propanenitrile.
What is the SMILES notation for 2,3-bis[3-(dimethylamino)phenyl]propanenitrile?
The canonical SMILES for 2,3-bis[3-(dimethylamino)phenyl]propanenitrile is CN(C)c1cccc(CC(C#N)c2cccc(N(C)C)c2)c1.
What is the InChIKey of 2,3-bis[3-(dimethylamino)phenyl]propanenitrile?
The InChIKey is YHJVQIJKADMWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-21(2)18-9-5-7-15(12-18)11-17(14-20)16-8-6-10-19(13-16)22(3)4/h5-10,12-13,17H,11H2,1-4H3.
What are the key properties of 2,3-bis[3-(dimethylamino)phenyl]propanenitrile?
2,3-bis[3-(dimethylamino)phenyl]propanenitrile has a molecular weight of 293.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[3-(dimethylamino)phenyl]propanenitrile is sourced from PubChem (CID 82141215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).