2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile

C13H17BrN2 — CID 115129670

IUPAC2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCN(CCc1ccc(Br)cc1)C(C)(C)C#N
InChIInChI=1S/C13H17BrN2/c1-13(2,10-15)16(3)9-8-11-4-6-12(14)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyKYTSUYXPZKNXRT-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile

2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile (PubChem CID 115129670) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile
PubChem CID115129670
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCN(CCc1ccc(Br)cc1)C(C)(C)C#N
InChIInChI=1S/C13H17BrN2/c1-13(2,10-15)16(3)9-8-11-4-6-12(14)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyKYTSUYXPZKNXRT-UHFFFAOYSA-N
XLogP3.23
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129671
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650
2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129696
2-[2-(4-ethylsulfanylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129723
2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile
CID 115129759
3-(4-bromophenyl)-2-(dimethylamino)-2-methylpropanenitrile
CID 82092150
2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride
CID 75366211
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129698
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129695
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129677
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129680
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile (CID 115129670) is 2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile is CN(CCc1ccc(Br)cc1)C(C)(C)C#N.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile?
The InChIKey is KYTSUYXPZKNXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-13(2,10-15)16(3)9-8-11-4-6-12(14)7-5-11/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile?
2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile has a molecular weight of 281.20 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115129670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).