2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile

C9H10BrN3 — CID 146351585

IUPAC2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile
SMILESCNc1ccc(Br)cc1C(N)C#N
InChIInChI=1S/C9H10BrN3/c1-13-9-3-2-6(10)4-7(9)8(12)5-11/h2-4,8,13H,12H2,1H3
InChIKeyDALVXXADZISVKQ-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.01
Rot. Bonds2

About 2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile

2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile (PubChem CID 146351585) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile
PubChem CID146351585
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile
SMILESCNc1ccc(Br)cc1C(N)C#N
InChIInChI=1S/C9H10BrN3/c1-13-9-3-2-6(10)4-7(9)8(12)5-11/h2-4,8,13H,12H2,1H3
InChIKeyDALVXXADZISVKQ-UHFFFAOYSA-N
XLogP2.01
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)acetonitrile
CID 131128388
4-bromo-2-(methylamino)benzonitrile
CID 24903089
(2S)-2-amino-2-(2-bromo-4-methylphenyl)acetonitrile
CID 130055180
2-amino-2-(5-bromo-2-hydroxy-3-methylphenyl)acetonitrile
CID 130061907
(2S)-2-(5-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 51675216
2-(2,4-dibromoanilino)acetonitrile
CID 61473879
2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 43364618
2-[amino-(5-bromo-2-methylphenyl)methyl]-3-methylbutanenitrile
CID 116946388
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline
CID 116936708
2-(4-bromo-2-pyrrolidin-1-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168610309
(3S)-3-amino-3-(2-amino-4-bromophenyl)propanenitrile
CID 130634465

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile?
The IUPAC name of 2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile (CID 146351585) is 2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile?
The canonical SMILES for 2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile is CNc1ccc(Br)cc1C(N)C#N.
What is the InChIKey of 2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile?
The InChIKey is DALVXXADZISVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-13-9-3-2-6(10)4-7(9)8(12)5-11/h2-4,8,13H,12H2,1H3.
What are the key properties of 2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile?
2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile has a molecular weight of 240.10 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-bromo-2-(methylamino)phenyl]acetonitrile is sourced from PubChem (CID 146351585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).