2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine

C11H15BrN2O3 — CID 114048927

IUPAC2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1cccc([N+](=O)[O-])c1Br
InChIInChI=1S/C11H15BrN2O3/c1-17-8-7-13-6-5-9-3-2-4-10(11(9)12)14(15)16/h2-4,13H,5-8H2,1H3
InChIKeyZZFOGQQCTPMCMY-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.14
Rot. Bonds7

About 2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine

2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 114048927) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine
PubChem CID114048927
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1cccc([N+](=O)[O-])c1Br
InChIInChI=1S/C11H15BrN2O3/c1-17-8-7-13-6-5-9-3-2-4-10(11(9)12)14(15)16/h2-4,13H,5-8H2,1H3
InChIKeyZZFOGQQCTPMCMY-UHFFFAOYSA-N
XLogP2.14
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-3-nitrophenyl)methyl]-4-methoxybutan-1-amine
CID 114048741
2-(2,4-dinitrophenyl)-N-(2-methoxyethyl)ethanamine
CID 66222655
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide
CID 119802905
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119802904
N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine
CID 82722032
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
4-methoxy-2-methyl-1-[2-(2-nitrophenyl)ethylamino]butan-2-ol
CID 106255429
2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine
CID 104562118
2-(2-nitrophenyl)-N-(2-prop-2-enoxyethyl)ethanamine
CID 114264712
2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103109333
N-(2-methoxyethyl)-2-(2-methoxy-5-nitrophenyl)ethanamine
CID 62550623
ethane;1-(3-methoxypropyl)-2-nitrobenzene
CID 91018205

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine (CID 114048927) is 2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine is COCCNCCc1cccc([N+](=O)[O-])c1Br.
What is the InChIKey of 2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is ZZFOGQQCTPMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-17-8-7-13-6-5-9-3-2-4-10(11(9)12)14(15)16/h2-4,13H,5-8H2,1H3.
What are the key properties of 2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine?
2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 303.16 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 114048927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).