2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile

C9H8Cl2N2 — CID 43115042

IUPAC2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2/c1-13-9(5-12)7-3-2-6(10)4-8(7)11/h2-4,9,13H,1H3
InChIKeyCBISBUCFPLTQJS-UHFFFAOYSA-N
MW215.08 g/mol
LogP2.78
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile

2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile (PubChem CID 43115042) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
PubChem CID43115042
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2/c1-13-9(5-12)7-3-2-6(10)4-8(7)11/h2-4,9,13H,1H3
InChIKeyCBISBUCFPLTQJS-UHFFFAOYSA-N
XLogP2.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano-(2,4-dichlorophenyl)methyl]acetamide
CID 83543201
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 43151713
2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetonitrile
CID 82020101
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
[cyano-(2,4-dichlorophenyl)methyl]urea
CID 110192031
3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile
CID 116955201
2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886457
4-(2,4-dichlorophenyl)-4-(methylamino)butanenitrile
CID 116955362
2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride
CID 91664037
(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
CID 28699729
(2S)-2-(5-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 51675216
1-(2,4-dichlorophenyl)-1-methoxy-N-methylmethanamine
CID 116961551

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile (CID 43115042) is 2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile is CNC(C#N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile?
The InChIKey is CBISBUCFPLTQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2/c1-13-9(5-12)7-3-2-6(10)4-8(7)11/h2-4,9,13H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile?
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile has a molecular weight of 215.08 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile is sourced from PubChem (CID 43115042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).