2-amino-3-(2,3-dichlorophenyl)propanenitrile

C9H8Cl2N2 — CID 152753494

IUPAC2-amino-3-(2,3-dichlorophenyl)propanenitrile
SMILESN#CC(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2N2/c10-8-3-1-2-6(9(8)11)4-7(13)5-12/h1-3,7H,4,13H2
InChIKeyARRZJTGOGYNKSF-UHFFFAOYSA-N
MW215.08 g/mol
LogP2.39
Rot. Bonds2

About 2-amino-3-(2,3-dichlorophenyl)propanenitrile

2-amino-3-(2,3-dichlorophenyl)propanenitrile (PubChem CID 152753494) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 2-amino-3-(2,3-dichlorophenyl)propanenitrile.

Molecular Properties

Compound Name2-amino-3-(2,3-dichlorophenyl)propanenitrile
PubChem CID152753494
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name2-amino-3-(2,3-dichlorophenyl)propanenitrile
SMILESN#CC(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2N2/c10-8-3-1-2-6(9(8)11)4-7(13)5-12/h1-3,7H,4,13H2
InChIKeyARRZJTGOGYNKSF-UHFFFAOYSA-N
XLogP2.39
TPSA49.81 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-cyclopropyl-2-(2,3-dichlorophenyl)ethanamine
CID 107308371
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
1-(4,5-dibromothiophen-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312305
1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
2-amino-4-(2,6-dichlorophenoxy)butanenitrile
CID 82023057

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dichlorophenyl)propanenitrile?
The IUPAC name of 2-amino-3-(2,3-dichlorophenyl)propanenitrile (CID 152753494) is 2-amino-3-(2,3-dichlorophenyl)propanenitrile.
What is the SMILES notation for 2-amino-3-(2,3-dichlorophenyl)propanenitrile?
The canonical SMILES for 2-amino-3-(2,3-dichlorophenyl)propanenitrile is N#CC(N)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-amino-3-(2,3-dichlorophenyl)propanenitrile?
The InChIKey is ARRZJTGOGYNKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2/c10-8-3-1-2-6(9(8)11)4-7(13)5-12/h1-3,7H,4,13H2.
What are the key properties of 2-amino-3-(2,3-dichlorophenyl)propanenitrile?
2-amino-3-(2,3-dichlorophenyl)propanenitrile has a molecular weight of 215.08 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dichlorophenyl)propanenitrile is sourced from PubChem (CID 152753494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).