1-(2-bromo-5-nitrophenyl)-N-methylmethanamine

C8H9BrN2O2 — CID 59315032

IUPAC1-(2-bromo-5-nitrophenyl)-N-methylmethanamine
SMILESCNCc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C8H9BrN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3
InChIKeyMBEJZLPYALTHPH-UHFFFAOYSA-N
MW245.08 g/mol
LogP2.08
Rot. Bonds3

About 1-(2-bromo-5-nitrophenyl)-N-methylmethanamine

1-(2-bromo-5-nitrophenyl)-N-methylmethanamine (PubChem CID 59315032) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 1-(2-bromo-5-nitrophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-nitrophenyl)-N-methylmethanamine
PubChem CID59315032
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name1-(2-bromo-5-nitrophenyl)-N-methylmethanamine
SMILESCNCc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C8H9BrN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3
InChIKeyMBEJZLPYALTHPH-UHFFFAOYSA-N
XLogP2.08
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 52.08
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

1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine
CID 82669041
(2-bromo-5-nitrophenyl)methanamine
CID 59511923
2-trimethylsilylethyl N-[(2-bromo-5-nitrophenyl)methyl]carbamate
CID 25232597
1-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-bromo-5-nitrophenyl)methyl]methanamine
CID 86615393
1,2-bis(bromomethyl)-4-nitrobenzene;ethane
CID 143301979
N-[(2-bromo-4-nitrophenyl)methyl]propan-1-amine
CID 60790578
1-[1-[(2-bromo-4-nitrophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66403883
ethyl 2-bromo-3-(2-bromo-5-nitrophenyl)propanoate
CID 83197179
N-(2-bromo-4-nitrophenyl)-2-(methylamino)ethanesulfonamide
CID 114003680
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
2-bromo-5-nitrophenol;ethane
CID 177010307

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-nitrophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-nitrophenyl)-N-methylmethanamine (CID 59315032) is 1-(2-bromo-5-nitrophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-nitrophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-nitrophenyl)-N-methylmethanamine is CNCc1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 1-(2-bromo-5-nitrophenyl)-N-methylmethanamine?
The InChIKey is MBEJZLPYALTHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3.
What are the key properties of 1-(2-bromo-5-nitrophenyl)-N-methylmethanamine?
1-(2-bromo-5-nitrophenyl)-N-methylmethanamine has a molecular weight of 245.08 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-nitrophenyl)-N-methylmethanamine is sourced from PubChem (CID 59315032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).