2-amino-2-(3,5-dibromophenyl)propanenitrile

C9H8Br2N2 — CID 130059031

IUPAC2-amino-2-(3,5-dibromophenyl)propanenitrile
SMILESCC(N)(C#N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H8Br2N2/c1-9(13,5-12)6-2-7(10)4-8(11)3-6/h2-4H,13H2,1H3
InChIKeyVTQDPWWMBUUVJR-UHFFFAOYSA-N
MW303.99 g/mol
LogP2.91
Rot. Bonds1

About 2-amino-2-(3,5-dibromophenyl)propanenitrile

2-amino-2-(3,5-dibromophenyl)propanenitrile (PubChem CID 130059031) has the molecular formula C9H8Br2N2 and a molecular weight of 303.99 g/mol. Its IUPAC name is 2-amino-2-(3,5-dibromophenyl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-(3,5-dibromophenyl)propanenitrile
PubChem CID130059031
Molecular FormulaC9H8Br2N2
Molecular Weight303.99 g/mol
Exact Mass301.91
IUPAC Name2-amino-2-(3,5-dibromophenyl)propanenitrile
SMILESCC(N)(C#N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H8Br2N2/c1-9(13,5-12)6-2-7(10)4-8(11)3-6/h2-4H,13H2,1H3
InChIKeyVTQDPWWMBUUVJR-UHFFFAOYSA-N
XLogP2.91
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.99
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dibromophenyl)-2-methylbutanenitrile
CID 130133609
(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile
CID 30116351
2-amino-2-(5-chloro-3-pyridinyl)propanenitrile
CID 167521779
2-(3-bromo-5-tert-butylphenyl)propanedinitrile
CID 12964451
2-amino-2-(4-phenylphenyl)propanenitrile
CID 16783156
2-amino-2-(4-methoxyphenyl)propanenitrile
CID 16787695
2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117111932
2-(3-bromo-5-methylphenyl)propan-2-amine
CID 83710324
2-(3-bromo-5-fluorophenyl)-2-methylbutanenitrile
CID 130133589
(2S)-2-amino-2-(2,4,6-trimethylphenyl)propanenitrile
CID 30115564
2-(4-bromothiophen-2-yl)-2-methylpropanenitrile
CID 83711404
2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile
CID 16794106

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dibromophenyl)propanenitrile?
The IUPAC name of 2-amino-2-(3,5-dibromophenyl)propanenitrile (CID 130059031) is 2-amino-2-(3,5-dibromophenyl)propanenitrile.
What is the SMILES notation for 2-amino-2-(3,5-dibromophenyl)propanenitrile?
The canonical SMILES for 2-amino-2-(3,5-dibromophenyl)propanenitrile is CC(N)(C#N)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-amino-2-(3,5-dibromophenyl)propanenitrile?
The InChIKey is VTQDPWWMBUUVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2/c1-9(13,5-12)6-2-7(10)4-8(11)3-6/h2-4H,13H2,1H3.
What are the key properties of 2-amino-2-(3,5-dibromophenyl)propanenitrile?
2-amino-2-(3,5-dibromophenyl)propanenitrile has a molecular weight of 303.99 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dibromophenyl)propanenitrile is sourced from PubChem (CID 130059031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).