4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine

C13H13BrN2O — CID 82857790

IUPAC4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(N)cc2)ccc1Br
InChIInChI=1S/C13H13BrN2O/c1-17-13-8-11(6-7-12(13)14)16-10-4-2-9(15)3-5-10/h2-8,16H,15H2,1H3
InChIKeyHHWDJXXOJMUPAH-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.78
Rot. Bonds3

About 4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine

4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine (PubChem CID 82857790) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine
PubChem CID82857790
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(N)cc2)ccc1Br
InChIInChI=1S/C13H13BrN2O/c1-17-13-8-11(6-7-12(13)14)16-10-4-2-9(15)3-5-10/h2-8,16H,15H2,1H3
InChIKeyHHWDJXXOJMUPAH-UHFFFAOYSA-N
XLogP3.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808
(4-bromo-3-methoxyphenyl)hydrazine
CID 54372982
4-bromo-3-methoxyaniline;iron
CID 158491783
2-amino-5-(4-bromo-3-methoxyanilino)benzonitrile
CID 82857794
1-N-(4-bromo-3-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 82858182
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
2-N-(4-bromo-3-methoxyphenyl)-1,3-benzothiazole-2,6-diamine
CID 82857943
2-[2-amino-5-(4-bromo-3-methoxyanilino)phenyl]acetonitrile
CID 102624589
2-N-(4-bromo-3-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437245
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 82862436
1-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 82858496
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
CID 82857322

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine (CID 82857790) is 4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine is COc1cc(Nc2ccc(N)cc2)ccc1Br.
What is the InChIKey of 4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine?
The InChIKey is HHWDJXXOJMUPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-17-13-8-11(6-7-12(13)14)16-10-4-2-9(15)3-5-10/h2-8,16H,15H2,1H3.
What are the key properties of 4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine?
4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine has a molecular weight of 293.16 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 82857790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).