3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile

C10H10Cl2N2 — CID 116955201

IUPAC3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile
SMILESCNC(CC#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2N2/c1-14-10(4-5-13)8-3-2-7(11)6-9(8)12/h2-3,6,10,14H,4H2,1H3
InChIKeyCCXGNOIGVHQADF-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.17
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile

3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile (PubChem CID 116955201) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile
PubChem CID116955201
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile
SMILESCNC(CC#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2N2/c1-14-10(4-5-13)8-3-2-7(11)6-9(8)12/h2-3,6,10,14H,4H2,1H3
InChIKeyCCXGNOIGVHQADF-UHFFFAOYSA-N
XLogP3.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dichlorophenyl)-4-(methylamino)butanenitrile
CID 116955362
3-(2,4-dichlorophenyl)butanenitrile;ethane
CID 145081047
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830438
1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864231
3-(2-fluorophenyl)-3-(methylamino)propanenitrile
CID 116955204
1-(2-chloro-4-methylphenyl)-N-methylbut-3-yn-1-amine
CID 106856847
1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819724
4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]butanenitrile
CID 28579571
3-(5-chloro-2-fluorophenyl)-3-(dimethylamino)propanenitrile
CID 116909950
2-(2,4-dichlorophenyl)-2-(methylamino)acetaldehyde
CID 116954245
1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
CID 116961551

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile?
The IUPAC name of 3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile (CID 116955201) is 3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile?
The canonical SMILES for 3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile is CNC(CC#N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile?
The InChIKey is CCXGNOIGVHQADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c1-14-10(4-5-13)8-3-2-7(11)6-9(8)12/h2-3,6,10,14H,4H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile?
3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile has a molecular weight of 229.11 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile is sourced from PubChem (CID 116955201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).