4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine

C13H12Br2N2O — CID 63670354

IUPAC4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(Br)cc2Br)ccc1N
InChIInChI=1S/C13H12Br2N2O/c1-18-13-7-9(3-4-11(13)16)17-12-5-2-8(14)6-10(12)15/h2-7,17H,16H2,1H3
InChIKeyGNQNVDSZMVFYSA-UHFFFAOYSA-N
MW372.06 g/mol
LogP4.55
Rot. Bonds3

About 4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine

4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine (PubChem CID 63670354) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is 4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine
PubChem CID63670354
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(Br)cc2Br)ccc1N
InChIInChI=1S/C13H12Br2N2O/c1-18-13-7-9(3-4-11(13)16)17-12-5-2-8(14)6-10(12)15/h2-7,17H,16H2,1H3
InChIKeyGNQNVDSZMVFYSA-UHFFFAOYSA-N
XLogP4.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066562
4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55234359
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62912318
4-N-(4-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002014
3-bromo-4-(3,4-dimethoxyanilino)benzonitrile
CID 82796843
4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63670967
4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine
CID 55232940
4-N-(2-bromo-4-methylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671115
2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
CID 79466769
2-[2-amino-5-(2,4-dibromoanilino)phenyl]acetonitrile
CID 102624038
4-(4-amino-3-propoxyanilino)-3-bromobenzonitrile
CID 107787305

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine (CID 63670354) is 4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine is COc1cc(Nc2ccc(Br)cc2Br)ccc1N.
What is the InChIKey of 4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine?
The InChIKey is GNQNVDSZMVFYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c1-18-13-7-9(3-4-11(13)16)17-12-5-2-8(14)6-10(12)15/h2-7,17H,16H2,1H3.
What are the key properties of 4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine?
4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine has a molecular weight of 372.06 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 63670354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).