2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine

C13H13BrN2O — CID 82857715

IUPAC2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
SMILESCOc1cc(Br)cc(Nc2ccccc2N)c1
InChIInChI=1S/C13H13BrN2O/c1-17-11-7-9(14)6-10(8-11)16-13-5-3-2-4-12(13)15/h2-8,16H,15H2,1H3
InChIKeyRRLIDBDIHNSCAG-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.78
Rot. Bonds3

About 2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine

2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine (PubChem CID 82857715) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
PubChem CID82857715
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
SMILESCOc1cc(Br)cc(Nc2ccccc2N)c1
InChIInChI=1S/C13H13BrN2O/c1-17-11-7-9(14)6-10(8-11)16-13-5-3-2-4-12(13)15/h2-8,16H,15H2,1H3
InChIKeyRRLIDBDIHNSCAG-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-bromo-5-methylphenyl)benzene-1,2-diamine
CID 107581799
3-amino-4-(3-bromo-5-methoxyanilino)benzamide
CID 82857398
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
CID 82859548
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
2-N-(3-bromo-5-methoxyphenyl)-3,4-difluorobenzene-1,2-diamine
CID 82857399
4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide
CID 82859549
3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide
CID 107273353
3-N-(3-bromo-5-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 107581916
4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 115468540
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437248

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine (CID 82857715) is 2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine is COc1cc(Br)cc(Nc2ccccc2N)c1.
What is the InChIKey of 2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine?
The InChIKey is RRLIDBDIHNSCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-17-11-7-9(14)6-10(8-11)16-13-5-3-2-4-12(13)15/h2-8,16H,15H2,1H3.
What are the key properties of 2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine?
2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-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 2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 82857715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).