2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile

C11H13BrN2O2 — CID 114880954

IUPAC2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
SMILESN#Cc1c(Br)cccc1NCCOCCO
InChIInChI=1S/C11H13BrN2O2/c12-10-2-1-3-11(9(10)8-13)14-4-6-16-7-5-15/h1-3,14-15H,4-7H2
InChIKeySPNABNWVWJPYKV-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.74
Rot. Bonds6

About 2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile

2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile (PubChem CID 114880954) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
PubChem CID114880954
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
SMILESN#Cc1c(Br)cccc1NCCOCCO
InChIInChI=1S/C11H13BrN2O2/c12-10-2-1-3-11(9(10)8-13)14-4-6-16-7-5-15/h1-3,14-15H,4-7H2
InChIKeySPNABNWVWJPYKV-UHFFFAOYSA-N
XLogP1.74
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide
CID 106236951
2-bromo-6-(2-phenoxyethylamino)benzonitrile
CID 114880862
2-[2-(2,6-dibromoanilino)ethoxy]ethanol
CID 107599049
2-[2-(2-aminophenoxy)ethylamino]-6-bromobenzonitrile
CID 114887508
2-bromo-6-[2-(ethylamino)ethylamino]benzonitrile
CID 114884762
2-bromo-6-(2-methylsulfonylethylamino)benzonitrile
CID 114880667
2-bromo-6-(3-hydroxybutylamino)benzonitrile
CID 114881117
2-(3-bromo-2-cyanoanilino)ethanesulfonamide
CID 114880630
2-bromo-6-[2-(dimethylamino)ethylamino]benzonitrile
CID 114880402
4-(3-bromo-2-cyanoanilino)butanamide
CID 114880659
2-bromo-6-(pent-4-ynylamino)benzonitrile
CID 106222278
2-bromo-6-(3-hydroxypentylamino)benzonitrile
CID 114881411

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile?
The IUPAC name of 2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile (CID 114880954) is 2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile?
The canonical SMILES for 2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile is N#Cc1c(Br)cccc1NCCOCCO.
What is the InChIKey of 2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile?
The InChIKey is SPNABNWVWJPYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-10-2-1-3-11(9(10)8-13)14-4-6-16-7-5-15/h1-3,14-15H,4-7H2.
What are the key properties of 2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile?
2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile has a molecular weight of 285.14 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile is sourced from PubChem (CID 114880954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).