2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride

C9H11BrClN3 — CID 155894207

IUPAC2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(Br)cc1NCCN
InChIInChI=1S/C9H10BrN3.ClH/c10-8-2-1-7(6-12)9(5-8)13-4-3-11;/h1-2,5,13H,3-4,11H2;1H
InChIKeyBANOOLZCCIWRAM-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.11
Rot. Bonds3

About 2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride

2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride (PubChem CID 155894207) has the molecular formula C9H11BrClN3 and a molecular weight of 276.56 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride
PubChem CID155894207
Molecular FormulaC9H11BrClN3
Molecular Weight276.56 g/mol
Exact Mass274.98
IUPAC Name2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(Br)cc1NCCN
InChIInChI=1S/C9H10BrN3.ClH/c10-8-2-1-7(6-12)9(5-8)13-4-3-11;/h1-2,5,13H,3-4,11H2;1H
InChIKeyBANOOLZCCIWRAM-UHFFFAOYSA-N
XLogP2.11
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[2-(4-chlorophenyl)ethylamino]benzonitrile
CID 114901513
3-(5-bromo-2-cyanoanilino)propanoic acid
CID 114900871
4-bromo-2-(3-ethoxypropylamino)benzonitrile
CID 114901360
4-bromo-2-(2,2-dimethylbutylamino)benzonitrile
CID 103461745
2-(benzylamino)-4-bromobenzonitrile
CID 24903092
4-bromo-2-[2-(3-bromophenoxy)ethylamino]benzonitrile
CID 107798049
4-bromo-2-(3-butoxypropylamino)benzonitrile
CID 114902214
4-bromo-2-(2-propan-2-ylsulfonylethylamino)benzonitrile
CID 114002525
4-bromo-2-[[(E)-3-chloroprop-2-enyl]amino]benzonitrile
CID 107900474
4-bromo-2-[2-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 106034976
4-bromo-2-(methylamino)benzonitrile
CID 24903089
4-bromo-2-(hydroxyamino)benzonitrile
CID 130500579

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride?
The IUPAC name of 2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride (CID 155894207) is 2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride.
What is the SMILES notation for 2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride?
The canonical SMILES for 2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride is Cl.N#Cc1ccc(Br)cc1NCCN.
What is the InChIKey of 2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride?
The InChIKey is BANOOLZCCIWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3.ClH/c10-8-2-1-7(6-12)9(5-8)13-4-3-11;/h1-2,5,13H,3-4,11H2;1H.
What are the key properties of 2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride?
2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride has a molecular weight of 276.56 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride is sourced from PubChem (CID 155894207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).