2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile

C11H12BrClN2 — CID 66157448

IUPAC2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H12BrClN2/c1-2-5-15-11(7-14)9-6-8(13)3-4-10(9)12/h3-4,6,11,15H,2,5H2,1H3
InChIKeyWQGZHFCTELCNRN-UHFFFAOYSA-N
MW287.59 g/mol
LogP3.67
Rot. Bonds4

About 2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile

2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile (PubChem CID 66157448) has the molecular formula C11H12BrClN2 and a molecular weight of 287.59 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile
PubChem CID66157448
Molecular FormulaC11H12BrClN2
Molecular Weight287.59 g/mol
Exact Mass285.99
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H12BrClN2/c1-2-5-15-11(7-14)9-6-8(13)3-4-10(9)12/h3-4,6,11,15H,2,5H2,1H3
InChIKeyWQGZHFCTELCNRN-UHFFFAOYSA-N
XLogP3.67
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.59
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115216
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile
CID 43364620
2-[(2-bromo-5-chlorophenyl)-hydroxymethyl]butanenitrile
CID 79127090
2-(2-bromo-5-chlorophenyl)propanenitrile
CID 130134968
2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 81145776
2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 114843588
N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497695
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetonitrile
CID 82020101
2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile (CID 66157448) is 2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile is CCCNC(C#N)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile?
The InChIKey is WQGZHFCTELCNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2/c1-2-5-15-11(7-14)9-6-8(13)3-4-10(9)12/h3-4,6,11,15H,2,5H2,1H3.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile?
2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile has a molecular weight of 287.59 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-(propylamino)acetonitrile is sourced from PubChem (CID 66157448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).