4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine

C14H14Br2N2 — CID 65467148

IUPAC4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine
SMILESCc1cc(Br)cc(C)c1Nc1ccc(Br)cc1N
InChIInChI=1S/C14H14Br2N2/c1-8-5-11(16)6-9(2)14(8)18-13-4-3-10(15)7-12(13)17/h3-7,18H,17H2,1-2H3
InChIKeyBCMZMJODEDSZLW-UHFFFAOYSA-N
MW370.09 g/mol
LogP5.15
Rot. Bonds2

About 4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine

4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine (PubChem CID 65467148) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine
PubChem CID65467148
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine
SMILESCc1cc(Br)cc(C)c1Nc1ccc(Br)cc1N
InChIInChI=1S/C14H14Br2N2/c1-8-5-11(16)6-9(2)14(8)18-13-4-3-10(15)7-12(13)17/h3-7,18H,17H2,1-2H3
InChIKeyBCMZMJODEDSZLW-UHFFFAOYSA-N
XLogP5.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.09
LogP ≤ 55.15
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

1-N-(4-bromo-2,6-dimethylphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 65467533
1-N-(4-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 29066657
4-bromo-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 29067383
azane;4-bromo-2-methylaniline
CID 175038668
2-N-(4-bromo-2-methylphenyl)benzene-1,2-diamine
CID 18404976
4-bromo-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067533
2-N-(4-bromo-2-methylphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62533328
1-N-(4-bromo-2-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29066652
4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 20780029
1-N-(5-bromo-2-methylphenyl)-4-chlorobenzene-1,2-diamine
CID 43805872
3-N-(4-bromo-2,6-dimethylphenyl)-2-nitrobenzene-1,3-diamine
CID 80846970
2-N-(4-bromo-2-fluorophenyl)-3-methylbenzene-1,2-diamine
CID 115549996

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine (CID 65467148) is 4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine is Cc1cc(Br)cc(C)c1Nc1ccc(Br)cc1N.
What is the InChIKey of 4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine?
The InChIKey is BCMZMJODEDSZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-8-5-11(16)6-9(2)14(8)18-13-4-3-10(15)7-12(13)17/h3-7,18H,17H2,1-2H3.
What are the key properties of 4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine?
4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine has a molecular weight of 370.09 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(4-bromo-2,6-dimethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 65467148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).