2,4-dibromo-6-methylaniline;dihydrobromide

C7H9Br4N — CID 175177436

IUPAC2,4-dibromo-6-methylaniline;dihydrobromide
SMILESBr.Br.Cc1cc(Br)cc(Br)c1N
InChIInChI=1S/C7H7Br2N.2BrH/c1-4-2-5(8)3-6(9)7(4)10;;/h2-3H,10H2,1H3;2*1H
InChIKeyIDEVRIQNHRPWKU-UHFFFAOYSA-N
MW426.77 g/mol
LogP4.26
Rot. Bonds

About 2,4-dibromo-6-methylaniline;dihydrobromide

2,4-dibromo-6-methylaniline;dihydrobromide (PubChem CID 175177436) has the molecular formula C7H9Br4N and a molecular weight of 426.77 g/mol. Its IUPAC name is 2,4-dibromo-6-methylaniline;dihydrobromide.

Molecular Properties

Compound Name2,4-dibromo-6-methylaniline;dihydrobromide
PubChem CID175177436
Molecular FormulaC7H9Br4N
Molecular Weight426.77 g/mol
Exact Mass422.75
IUPAC Name2,4-dibromo-6-methylaniline;dihydrobromide
SMILESBr.Br.Cc1cc(Br)cc(Br)c1N
InChIInChI=1S/C7H7Br2N.2BrH/c1-4-2-5(8)3-6(9)7(4)10;;/h2-3H,10H2,1H3;2*1H
InChIKeyIDEVRIQNHRPWKU-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-4-methylaniline
CID 11422
4-Bromo-2-methylaniline
CID 11423
4-Bromo-2,6-xylidine
CID 90549
4-Bromo-2-ethylaniline
CID 2801283
2-Bromo-4-fluoro-6-methylaniline
CID 2773378
2,6-Dibromo-p-toluidine
CID 81427
2-Bromo-4,6-dimethylaniline
CID 170579
2-Amino-3,5-dibromotoluene
CID 458688
2-Amino-3,5-dibromobenzonitrile
CID 2734082
4-Bromo-2,6-diisopropylaniline
CID 11780114
Benzenamine, 4-bromo-2-ethyl-, hydrochloride (1:1)
CID 2801282
2,6-Dibromo-4-(1-methylethyl)benzenamine
CID 139184

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-methylaniline;dihydrobromide?
The IUPAC name of 2,4-dibromo-6-methylaniline;dihydrobromide (CID 175177436) is 2,4-dibromo-6-methylaniline;dihydrobromide.
What is the SMILES notation for 2,4-dibromo-6-methylaniline;dihydrobromide?
The canonical SMILES for 2,4-dibromo-6-methylaniline;dihydrobromide is Br.Br.Cc1cc(Br)cc(Br)c1N.
What is the InChIKey of 2,4-dibromo-6-methylaniline;dihydrobromide?
The InChIKey is IDEVRIQNHRPWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N.2BrH/c1-4-2-5(8)3-6(9)7(4)10;;/h2-3H,10H2,1H3;2*1H.
What are the key properties of 2,4-dibromo-6-methylaniline;dihydrobromide?
2,4-dibromo-6-methylaniline;dihydrobromide has a molecular weight of 426.77 g/mol, XLogP of 4.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-methylaniline;dihydrobromide is sourced from PubChem (CID 175177436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).