2-(2-bromophenyl)-2-(dimethylamino)acetonitrile

C10H11BrN2 — CID 10657608

IUPAC2-(2-bromophenyl)-2-(dimethylamino)acetonitrile
SMILESCN(C)C(C#N)c1ccccc1Br
InChIInChI=1S/C10H11BrN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,1-2H3
InChIKeyHYRRJFUQMCBRMD-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.58
Rot. Bonds2

About 2-(2-bromophenyl)-2-(dimethylamino)acetonitrile

2-(2-bromophenyl)-2-(dimethylamino)acetonitrile (PubChem CID 10657608) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(dimethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(dimethylamino)acetonitrile
PubChem CID10657608
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name2-(2-bromophenyl)-2-(dimethylamino)acetonitrile
SMILESCN(C)C(C#N)c1ccccc1Br
InChIInChI=1S/C10H11BrN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,1-2H3
InChIKeyHYRRJFUQMCBRMD-UHFFFAOYSA-N
XLogP2.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bretylium
CID 2431
2-Bromo-N-methylbenzylamine
CID 522360
827-36-1
CID 13227
N,N-dimethyl-2-bromophenylethylamine
CID 151465
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
4-Bromo-N,N-dimethylbenzylamine
CID 235757
2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)
CID 18499
2-bromo-N,N-dimethylbenzylamine
CID 74792
4-Bromo-N,N-diisopropylbenzylamine
CID 598770
alpha-(Diethylamino)benzeneacetonitrile
CID 21177

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(dimethylamino)acetonitrile?
The IUPAC name of 2-(2-bromophenyl)-2-(dimethylamino)acetonitrile (CID 10657608) is 2-(2-bromophenyl)-2-(dimethylamino)acetonitrile.
What is the SMILES notation for 2-(2-bromophenyl)-2-(dimethylamino)acetonitrile?
The canonical SMILES for 2-(2-bromophenyl)-2-(dimethylamino)acetonitrile is CN(C)C(C#N)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(dimethylamino)acetonitrile?
The InChIKey is HYRRJFUQMCBRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,1-2H3.
What are the key properties of 2-(2-bromophenyl)-2-(dimethylamino)acetonitrile?
2-(2-bromophenyl)-2-(dimethylamino)acetonitrile has a molecular weight of 239.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(dimethylamino)acetonitrile is sourced from PubChem (CID 10657608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).