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

C11H13BrN2 — CID 115129371

IUPAC2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile
SMILESCC(C)(C#N)NCc1ccccc1Br
InChIInChI=1S/C11H13BrN2/c1-11(2,8-13)14-7-9-5-3-4-6-10(9)12/h3-6,14H,7H2,1-2H3
InChIKeyYBQOFOGZDVYFKY-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.84
Rot. Bonds3

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

2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile (PubChem CID 115129371) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile
PubChem CID115129371
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile
SMILESCC(C)(C#N)NCc1ccccc1Br
InChIInChI=1S/C11H13BrN2/c1-11(2,8-13)14-7-9-5-3-4-6-10(9)12/h3-6,14H,7H2,1-2H3
InChIKeyYBQOFOGZDVYFKY-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162
1-N-[(2-bromophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200673
1-[(2-bromophenyl)methylamino]-2-methylpropan-2-ol
CID 61401916
[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
CID 156884808
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
2-[[(2-bromophenyl)methylamino]methyl]butanenitrile
CID 115253867
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
CID 112727459
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726538
4-[(2-bromophenyl)methylamino]-2-methylbutan-2-ol
CID 79360093

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile?
The IUPAC name of 2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile (CID 115129371) is 2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile is CC(C)(C#N)NCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile?
The InChIKey is YBQOFOGZDVYFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-11(2,8-13)14-7-9-5-3-4-6-10(9)12/h3-6,14H,7H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile?
2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile has a molecular weight of 253.14 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115129371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).