3-bromo-1-N,5-dimethylbenzene-1,2-diamine

C8H11BrN2 — CID 169191403

IUPAC3-bromo-1-N,5-dimethylbenzene-1,2-diamine
SMILESCNc1cc(C)cc(Br)c1N
InChIInChI=1S/C8H11BrN2/c1-5-3-6(9)8(10)7(4-5)11-2/h3-4,11H,10H2,1-2H3
InChIKeyXZUOMQOWPGDMNC-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.38
Rot. Bonds1

About 3-bromo-1-N,5-dimethylbenzene-1,2-diamine

3-bromo-1-N,5-dimethylbenzene-1,2-diamine (PubChem CID 169191403) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 3-bromo-1-N,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-bromo-1-N,5-dimethylbenzene-1,2-diamine
PubChem CID169191403
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name3-bromo-1-N,5-dimethylbenzene-1,2-diamine
SMILESCNc1cc(C)cc(Br)c1N
InChIInChI=1S/C8H11BrN2/c1-5-3-6(9)8(10)7(4-5)11-2/h3-4,11H,10H2,1-2H3
InChIKeyXZUOMQOWPGDMNC-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine
CID 142494313
2-amino-3-bromo-5-methylbenzoic acid
CID 2774400
2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline
CID 86037301
2-bromo-4-methyl-6-(propylaminomethyl)aniline
CID 143776223
2-bromo-N,5-dimethylpyridin-3-amine
CID 130595273
N-(2,6-dibromo-4-methylphenyl)-2-(methylamino)benzamide
CID 61377648
2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 126678425
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112648174
2-N-(2-bromo-5-methylphenyl)benzene-1,2-diamine
CID 82761133
propan-2-yl 2-amino-3-bromo-5-methylbenzoate
CID 60835807
2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide
CID 170699654
2-hydrazinyl-N,5-dimethylaniline
CID 149056718

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-N,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-bromo-1-N,5-dimethylbenzene-1,2-diamine (CID 169191403) is 3-bromo-1-N,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-bromo-1-N,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-bromo-1-N,5-dimethylbenzene-1,2-diamine is CNc1cc(C)cc(Br)c1N.
What is the InChIKey of 3-bromo-1-N,5-dimethylbenzene-1,2-diamine?
The InChIKey is XZUOMQOWPGDMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-5-3-6(9)8(10)7(4-5)11-2/h3-4,11H,10H2,1-2H3.
What are the key properties of 3-bromo-1-N,5-dimethylbenzene-1,2-diamine?
3-bromo-1-N,5-dimethylbenzene-1,2-diamine has a molecular weight of 215.09 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-N,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 169191403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).