2-bromo-6-methoxybenzene-1,4-diamine

C7H9BrN2O — CID 10889334

IUPAC2-bromo-6-methoxybenzene-1,4-diamine
SMILESCOc1cc(N)cc(Br)c1N
InChIInChI=1S/C7H9BrN2O/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,9-10H2,1H3
InChIKeyICPJHGIIFZSCON-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.62
Rot. Bonds1

About 2-bromo-6-methoxybenzene-1,4-diamine

2-bromo-6-methoxybenzene-1,4-diamine (PubChem CID 10889334) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 2-bromo-6-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-6-methoxybenzene-1,4-diamine
PubChem CID10889334
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name2-bromo-6-methoxybenzene-1,4-diamine
SMILESCOc1cc(N)cc(Br)c1N
InChIInChI=1S/C7H9BrN2O/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,9-10H2,1H3
InChIKeyICPJHGIIFZSCON-UHFFFAOYSA-N
XLogP1.62
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-bromo-6-methoxybenzene-1,4-diamine 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
6-bromo-4-methoxy-2,3-dimethylaniline
CID 151145179
4-bromo-3-methoxyaniline;iron
CID 158491783
2,6-dibromo-4-methoxyaniline
CID 542895
6-bromo-3-chloro-2,4-dimethoxyaniline
CID 58946772
6-bromo-3-methoxy-2-methylaniline
CID 67280395
3-bromo-4-[2-(diethylamino)ethoxy]-5-methoxyaniline
CID 3024523
N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide
CID 100828478
2-amino-5-bromo-3-methoxyphenol
CID 131595418
2-bromo-6-[(dimethylamino)methyl]benzene-1,4-diamine
CID 89199657
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxybenzene-1,4-diamine?
The IUPAC name of 2-bromo-6-methoxybenzene-1,4-diamine (CID 10889334) is 2-bromo-6-methoxybenzene-1,4-diamine.
What is the SMILES notation for 2-bromo-6-methoxybenzene-1,4-diamine?
The canonical SMILES for 2-bromo-6-methoxybenzene-1,4-diamine is COc1cc(N)cc(Br)c1N.
What is the InChIKey of 2-bromo-6-methoxybenzene-1,4-diamine?
The InChIKey is ICPJHGIIFZSCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,9-10H2,1H3.
What are the key properties of 2-bromo-6-methoxybenzene-1,4-diamine?
2-bromo-6-methoxybenzene-1,4-diamine has a molecular weight of 217.07 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxybenzene-1,4-diamine is sourced from PubChem (CID 10889334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).