2-amino-4-(4-bromophenyl)butanenitrile

C10H11BrN2 — CID 84727888

IUPAC2-amino-4-(4-bromophenyl)butanenitrile
SMILESN#CC(N)CCc1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2/c11-9-4-1-8(2-5-9)3-6-10(13)7-12/h1-2,4-5,10H,3,6,13H2
InChIKeyRJLUWINNAVRFNX-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.23
Rot. Bonds3

About 2-amino-4-(4-bromophenyl)butanenitrile

2-amino-4-(4-bromophenyl)butanenitrile (PubChem CID 84727888) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-amino-4-(4-bromophenyl)butanenitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromophenyl)butanenitrile
PubChem CID84727888
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name2-amino-4-(4-bromophenyl)butanenitrile
SMILESN#CC(N)CCc1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2/c11-9-4-1-8(2-5-9)3-6-10(13)7-12/h1-2,4-5,10H,3,6,13H2
InChIKeyRJLUWINNAVRFNX-UHFFFAOYSA-N
XLogP2.23
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-phenylbutanenitrile
CID 11159479
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
2-bromo-4-(4-bromophenyl)butanoic acid
CID 84604623
1-bromo-4-(3-bromo-3-phenylpropyl)benzene
CID 63471599
O-[2-(4-bromophenyl)ethyl]hydroxylamine
CID 83486185
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
1-bromo-4-(4-bromo-3-fluorobutyl)benzene
CID 118947109
1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
CID 153339834
N-[2-(4-bromophenyl)ethyl]-2-cyanobutanamide
CID 115188383
acetonitrile;2-(4-bromophenyl)ethanol;ethane
CID 162439608
2-amino-5-(4-bromophenyl)pentanoic acid
CID 83664406
2-amino-4-(4-bromophenyl)-2-methylbutanenitrile;hydrochloride
CID 75366211

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromophenyl)butanenitrile?
The IUPAC name of 2-amino-4-(4-bromophenyl)butanenitrile (CID 84727888) is 2-amino-4-(4-bromophenyl)butanenitrile.
What is the SMILES notation for 2-amino-4-(4-bromophenyl)butanenitrile?
The canonical SMILES for 2-amino-4-(4-bromophenyl)butanenitrile is N#CC(N)CCc1ccc(Br)cc1.
What is the InChIKey of 2-amino-4-(4-bromophenyl)butanenitrile?
The InChIKey is RJLUWINNAVRFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-9-4-1-8(2-5-9)3-6-10(13)7-12/h1-2,4-5,10H,3,6,13H2.
What are the key properties of 2-amino-4-(4-bromophenyl)butanenitrile?
2-amino-4-(4-bromophenyl)butanenitrile has a molecular weight of 239.12 g/mol, XLogP of 2.23, 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)butanenitrile is sourced from PubChem (CID 84727888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).