(2-bromo-6-methoxy-4-nitrophenyl)methanamine

C8H9BrN2O3 — CID 171019721

IUPAC(2-bromo-6-methoxy-4-nitrophenyl)methanamine
SMILESCOc1cc([N+](=O)[O-])cc(Br)c1CN
InChIInChI=1S/C8H9BrN2O3/c1-14-8-3-5(11(12)13)2-7(9)6(8)4-10/h2-3H,4,10H2,1H3
InChIKeyCLWJYQNFAQSKDX-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.82
Rot. Bonds3

About (2-bromo-6-methoxy-4-nitrophenyl)methanamine

(2-bromo-6-methoxy-4-nitrophenyl)methanamine (PubChem CID 171019721) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is (2-bromo-6-methoxy-4-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-methoxy-4-nitrophenyl)methanamine
PubChem CID171019721
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name(2-bromo-6-methoxy-4-nitrophenyl)methanamine
SMILESCOc1cc([N+](=O)[O-])cc(Br)c1CN
InChIInChI=1S/C8H9BrN2O3/c1-14-8-3-5(11(12)13)2-7(9)6(8)4-10/h2-3H,4,10H2,1H3
InChIKeyCLWJYQNFAQSKDX-UHFFFAOYSA-N
XLogP1.82
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.82
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'}

Analyze (2-bromo-6-methoxy-4-nitrophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-methoxy-4-nitroaniline
CID 7099118
4-(aminomethyl)-3-bromo-5-methoxybenzonitrile
CID 171014130
1-(2-bromo-6-methoxy-4-nitrophenyl)-4-ethylpiperazine
CID 50879452
2-(2-formyl-6-methoxy-4-nitrophenyl)acetic acid
CID 171023666
2-amino-3-methoxy-5-nitrobenzenethiol
CID 71345154
[4-bromo-2-(2-methoxy-5-nitrophenoxy)phenyl]methanamine
CID 61032055
[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110298
1-bromo-3-(chloromethyl)-2-methoxy-5-nitrobenzene
CID 171007712
[4-(2,6-dibromo-4-nitrophenoxy)-3-methylphenyl]methanamine
CID 62124218
2-bromo-1-(2-iodo-3-methoxy-5-nitrophenyl)ethanone
CID 171011664
azane;2-(2-methoxy-4-nitrophenyl)ethanamine
CID 19827481
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-methoxy-4-nitrophenyl)methanamine?
The IUPAC name of (2-bromo-6-methoxy-4-nitrophenyl)methanamine (CID 171019721) is (2-bromo-6-methoxy-4-nitrophenyl)methanamine.
What is the SMILES notation for (2-bromo-6-methoxy-4-nitrophenyl)methanamine?
The canonical SMILES for (2-bromo-6-methoxy-4-nitrophenyl)methanamine is COc1cc([N+](=O)[O-])cc(Br)c1CN.
What is the InChIKey of (2-bromo-6-methoxy-4-nitrophenyl)methanamine?
The InChIKey is CLWJYQNFAQSKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-14-8-3-5(11(12)13)2-7(9)6(8)4-10/h2-3H,4,10H2,1H3.
What are the key properties of (2-bromo-6-methoxy-4-nitrophenyl)methanamine?
(2-bromo-6-methoxy-4-nitrophenyl)methanamine has a molecular weight of 261.07 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-methoxy-4-nitrophenyl)methanamine is sourced from PubChem (CID 171019721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).