1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine

C11H13BrN2O2 — CID 114385682

IUPAC1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13BrN2O2/c1-6(13)9-5-10(9)8-3-2-7(12)4-11(8)14(15)16/h2-4,6,9-10H,5,13H2,1H3
InChIKeyQGGTUJBZTKCQFW-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.81
Rot. Bonds3

About 1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine

1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine (PubChem CID 114385682) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine
PubChem CID114385682
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13BrN2O2/c1-6(13)9-5-10(9)8-3-2-7(12)4-11(8)14(15)16/h2-4,6,9-10H,5,13H2,1H3
InChIKeyQGGTUJBZTKCQFW-UHFFFAOYSA-N
XLogP2.81
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-bromo-1-[(1S,2R)-2-methylcyclopropyl]-2-nitrobenzene
CID 28592942
2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine
CID 114385721
4-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-nitroaniline
CID 63463503
(1S)-1-(4-bromo-2-nitrophenyl)ethane-1,2-diamine
CID 131190762
2-amino-N-(4-bromo-2-nitrophenyl)propanamide
CID 43711578
1-(4-bromo-2-nitrophenyl)azetidin-3-amine
CID 65250097
1-(4-bromo-2-nitrophenyl)-2-propan-2-ylpyrrolidine
CID 62897062
1-[2-(4-bromo-2-nitrophenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 114385771
N-[[2-(4-bromo-2-nitrophenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 114385764
1-[(4-bromo-2-nitrophenyl)methylsulfanyl]propan-2-amine
CID 114381702
4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline
CID 115658423
4-bromo-2-nitro-1-propan-2-ylsulfonylbenzene
CID 56945987

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine (CID 114385682) is 1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine is CC(N)C1CC1c1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine?
The InChIKey is QGGTUJBZTKCQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-6(13)9-5-10(9)8-3-2-7(12)4-11(8)14(15)16/h2-4,6,9-10H,5,13H2,1H3.
What are the key properties of 1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine?
1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine has a molecular weight of 285.14 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 114385682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).