2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride

C8H10BrClN2O3 — CID 138985745

IUPAC2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride
SMILESCl.NCCOc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H9BrN2O3.ClH/c9-7-5-6(11(12)13)1-2-8(7)14-4-3-10;/h1-2,5H,3-4,10H2;1H
InChIKeyWZFWNWZMMNSNEB-UHFFFAOYSA-N
MW297.54 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride

2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride (PubChem CID 138985745) has the molecular formula C8H10BrClN2O3 and a molecular weight of 297.54 g/mol. Its IUPAC name is 2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride
PubChem CID138985745
Molecular FormulaC8H10BrClN2O3
Molecular Weight297.54 g/mol
Exact Mass295.96
IUPAC Name2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride
SMILESCl.NCCOc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H9BrN2O3.ClH/c9-7-5-6(11(12)13)1-2-8(7)14-4-3-10;/h1-2,5H,3-4,10H2;1H
InChIKeyWZFWNWZMMNSNEB-UHFFFAOYSA-N
XLogP2.12
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.54
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
2-(2-bromo-4-chlorophenoxy)ethyl 2-amino-5-nitrobenzoate
CID 18267275
2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
CID 103482481
4-(2-bromo-4-nitrophenoxy)but-2-enoic acid
CID 175545802
4-(2-bromo-5-nitrophenoxy)butane-1-sulfonamide
CID 103013076
4-(2-aminoethoxy)-3-nitrobenzenesulfonamide
CID 62347424
2-bromo-1-[(3-methoxyphenyl)methoxy]-4-nitrobenzene
CID 23657937
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
1-(2-bromoethoxy)-2-methyl-4-nitrobenzene
CID 102536841
2-(2-bromoethoxy)-5-nitrobenzaldehyde
CID 14050433
2-bromo-1-(3,4-dichlorophenoxy)-4-nitrobenzene
CID 1491144
1-bromo-4-nitro-2-(2-phenoxyethoxy)benzene
CID 86684782

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride (CID 138985745) is 2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride is Cl.NCCOc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride?
The InChIKey is WZFWNWZMMNSNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3.ClH/c9-7-5-6(11(12)13)1-2-8(7)14-4-3-10;/h1-2,5H,3-4,10H2;1H.
What are the key properties of 2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride?
2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride has a molecular weight of 297.54 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 138985745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).