2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride

C11H14BrClN2 — CID 75366211

IUPAC2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride
SMILESCC(N)(C#N)CCc1ccc(Br)cc1.Cl
InChIInChI=1S/C11H13BrN2.ClH/c1-11(14,8-13)7-6-9-2-4-10(12)5-3-9;/h2-5H,6-7,14H2,1H3;1H
InChIKeyOIDIYKZMCWLJAH-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.04
Rot. Bonds3

About 2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride

2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride (PubChem CID 75366211) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride
PubChem CID75366211
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride
SMILESCC(N)(C#N)CCc1ccc(Br)cc1.Cl
InChIInChI=1S/C11H13BrN2.ClH/c1-11(14,8-13)7-6-9-2-4-10(12)5-3-9;/h2-5H,6-7,14H2,1H3;1H
InChIKeyOIDIYKZMCWLJAH-UHFFFAOYSA-N
XLogP3.04
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile
CID 16791985
1-bromo-4-(3,3-difluorobutyl)benzene
CID 84706880
1-bromo-4-(3-fluoro-3-methylbutyl)benzene
CID 84704942
2-amino-4-(4-bromophenyl)-2-methylbutanoic acid
CID 56687127
2-amino-4-(3-fluoro-4-methoxyphenyl)-2-methylbutanenitrile
CID 82080227
4-(4-bromophenyl)-2-fluoro-2-methylbutan-1-amine
CID 84729556
2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129670
2-amino-4-(2,5-dimethylphenyl)-2-methylbutanenitrile
CID 82076657
2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 55085639
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
CID 151939532
3-(4-bromophenyl)-2-(dimethylamino)-2-methylpropanenitrile
CID 82092150

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride?
The IUPAC name of 2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride (CID 75366211) is 2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride.
What is the SMILES notation for 2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride?
The canonical SMILES for 2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride is CC(N)(C#N)CCc1ccc(Br)cc1.Cl.
What is the InChIKey of 2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride?
The InChIKey is OIDIYKZMCWLJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2.ClH/c1-11(14,8-13)7-6-9-2-4-10(12)5-3-9;/h2-5H,6-7,14H2,1H3;1H.
What are the key properties of 2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride?
2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride has a molecular weight of 289.60 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride is sourced from PubChem (CID 75366211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).