2-[(4-bromophenyl)methyl-methylamino]propanedinitrile

C11H10BrN3 — CID 172561382

IUPAC2-[(4-bromophenyl)methyl-methylamino]propanedinitrile
SMILESCN(Cc1ccc(Br)cc1)C(C#N)C#N
InChIInChI=1S/C11H10BrN3/c1-15(11(6-13)7-14)8-9-2-4-10(12)5-3-9/h2-5,11H,8H2,1H3
InChIKeyYYEQBWCGMJCIQU-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.30
Rot. Bonds3

About 2-[(4-bromophenyl)methyl-methylamino]propanedinitrile

2-[(4-bromophenyl)methyl-methylamino]propanedinitrile (PubChem CID 172561382) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]propanedinitrile.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]propanedinitrile
PubChem CID172561382
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]propanedinitrile
SMILESCN(Cc1ccc(Br)cc1)C(C#N)C#N
InChIInChI=1S/C11H10BrN3/c1-15(11(6-13)7-14)8-9-2-4-10(12)5-3-9/h2-5,11H,8H2,1H3
InChIKeyYYEQBWCGMJCIQU-UHFFFAOYSA-N
XLogP2.30
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]propanedinitrile?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]propanedinitrile (CID 172561382) is 2-[(4-bromophenyl)methyl-methylamino]propanedinitrile.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]propanedinitrile?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]propanedinitrile is CN(Cc1ccc(Br)cc1)C(C#N)C#N.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]propanedinitrile?
The InChIKey is YYEQBWCGMJCIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-15(11(6-13)7-14)8-9-2-4-10(12)5-3-9/h2-5,11H,8H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]propanedinitrile?
2-[(4-bromophenyl)methyl-methylamino]propanedinitrile has a molecular weight of 264.13 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]propanedinitrile is sourced from PubChem (CID 172561382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).