N-(2-bromoethyl)-4-chloroaniline;hydrochloride

C8H10BrCl2N — CID 21443144

IUPACN-(2-bromoethyl)-4-chloroaniline;hydrochloride
SMILESCl.Clc1ccc(NCCBr)cc1
InChIInChI=1S/C8H9BrClN.ClH/c9-5-6-11-8-3-1-7(10)2-4-8;/h1-4,11H,5-6H2;1H
InChIKeyFFHXZADEKMMQMM-UHFFFAOYSA-N
MW270.99 g/mol
LogP3.57
Rot. Bonds3

About N-(2-bromoethyl)-4-chloroaniline;hydrochloride

N-(2-bromoethyl)-4-chloroaniline;hydrochloride (PubChem CID 21443144) has the molecular formula C8H10BrCl2N and a molecular weight of 270.99 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-chloroaniline;hydrochloride.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-chloroaniline;hydrochloride
PubChem CID21443144
Molecular FormulaC8H10BrCl2N
Molecular Weight270.99 g/mol
Exact Mass268.94
IUPAC NameN-(2-bromoethyl)-4-chloroaniline;hydrochloride
SMILESCl.Clc1ccc(NCCBr)cc1
InChIInChI=1S/C8H9BrClN.ClH/c9-5-6-11-8-3-1-7(10)2-4-8;/h1-4,11H,5-6H2;1H
InChIKeyFFHXZADEKMMQMM-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.99
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4-chloroaniline;hydrochloride?
The IUPAC name of N-(2-bromoethyl)-4-chloroaniline;hydrochloride (CID 21443144) is N-(2-bromoethyl)-4-chloroaniline;hydrochloride.
What is the SMILES notation for N-(2-bromoethyl)-4-chloroaniline;hydrochloride?
The canonical SMILES for N-(2-bromoethyl)-4-chloroaniline;hydrochloride is Cl.Clc1ccc(NCCBr)cc1.
What is the InChIKey of N-(2-bromoethyl)-4-chloroaniline;hydrochloride?
The InChIKey is FFHXZADEKMMQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN.ClH/c9-5-6-11-8-3-1-7(10)2-4-8;/h1-4,11H,5-6H2;1H.
What are the key properties of N-(2-bromoethyl)-4-chloroaniline;hydrochloride?
N-(2-bromoethyl)-4-chloroaniline;hydrochloride has a molecular weight of 270.99 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4-chloroaniline;hydrochloride is sourced from PubChem (CID 21443144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).