2-(2-bromophenyl)-2-(ethylamino)propanenitrile

C11H13BrN2 — CID 46398475

IUPAC2-(2-bromophenyl)-2-(ethylamino)propanenitrile
SMILESCCNC(C)(C#N)c1ccccc1Br
InChIInChI=1S/C11H13BrN2/c1-3-14-11(2,8-13)9-6-4-5-7-10(9)12/h4-7,14H,3H2,1-2H3
InChIKeyLLQJMDCFYZLUMS-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.80
Rot. Bonds3

About 2-(2-bromophenyl)-2-(ethylamino)propanenitrile

2-(2-bromophenyl)-2-(ethylamino)propanenitrile (PubChem CID 46398475) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(ethylamino)propanenitrile
PubChem CID46398475
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-(2-bromophenyl)-2-(ethylamino)propanenitrile
SMILESCCNC(C)(C#N)c1ccccc1Br
InChIInChI=1S/C11H13BrN2/c1-3-14-11(2,8-13)9-6-4-5-7-10(9)12/h4-7,14H,3H2,1-2H3
InChIKeyLLQJMDCFYZLUMS-UHFFFAOYSA-N
XLogP2.80
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(ethylamino)propanenitrile?
The IUPAC name of 2-(2-bromophenyl)-2-(ethylamino)propanenitrile (CID 46398475) is 2-(2-bromophenyl)-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-(2-bromophenyl)-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-(2-bromophenyl)-2-(ethylamino)propanenitrile is CCNC(C)(C#N)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(ethylamino)propanenitrile?
The InChIKey is LLQJMDCFYZLUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-3-14-11(2,8-13)9-6-4-5-7-10(9)12/h4-7,14H,3H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-2-(ethylamino)propanenitrile?
2-(2-bromophenyl)-2-(ethylamino)propanenitrile has a molecular weight of 253.14 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(ethylamino)propanenitrile is sourced from PubChem (CID 46398475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).