3-bromo-2,4-difluoro-6-methylaniline;hydrochloride

C7H7BrClF2N — CID 178161006

IUPAC3-bromo-2,4-difluoro-6-methylaniline;hydrochloride
SMILESCc1cc(F)c(Br)c(F)c1N.Cl
InChIInChI=1S/C7H6BrF2N.ClH/c1-3-2-4(9)5(8)6(10)7(3)11;/h2H,11H2,1H3;1H
InChIKeyGTLBAWPIZBJGNI-UHFFFAOYSA-N
MW258.49 g/mol
LogP3.04
Rot. Bonds

About 3-bromo-2,4-difluoro-6-methylaniline;hydrochloride

3-bromo-2,4-difluoro-6-methylaniline;hydrochloride (PubChem CID 178161006) has the molecular formula C7H7BrClF2N and a molecular weight of 258.49 g/mol. Its IUPAC name is 3-bromo-2,4-difluoro-6-methylaniline;hydrochloride.

Molecular Properties

Compound Name3-bromo-2,4-difluoro-6-methylaniline;hydrochloride
PubChem CID178161006
Molecular FormulaC7H7BrClF2N
Molecular Weight258.49 g/mol
Exact Mass256.94
IUPAC Name3-bromo-2,4-difluoro-6-methylaniline;hydrochloride
SMILESCc1cc(F)c(Br)c(F)c1N.Cl
InChIInChI=1S/C7H6BrF2N.ClH/c1-3-2-4(9)5(8)6(10)7(3)11;/h2H,11H2,1H3;1H
InChIKeyGTLBAWPIZBJGNI-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-fluoro-2,6-dimethylaniline;ethane
CID 168927832
2-amino-3-bromo-6-fluoro-4-methylphenol
CID 84685280
3-bromo-1,2,4-trifluoro-5-methylbenzene
CID 54030137
4-amino-3-bromo-2-fluoro-5-methylbenzonitrile
CID 14621074
2-bromo-4-fluoro-6-methylaniline
CID 2773378
4-bromo-2,6-difluoro-3-methylaniline
CID 57493956
2-fluoro-3,6-dimethylaniline
CID 67968158
3-bromo-4-fluoro-2-methylaniline;hydrochloride
CID 172829925
6-bromo-3,4-difluoro-2-methylaniline
CID 14738850
4-fluoro-6-methylbenzene-1,3-diamine;hydrate
CID 141142247
3-bromo-2,4,6-trifluoro-5-methylaniline
CID 77134473
2,5-dibromo-1-fluoro-3-methylbenzene
CID 56604211

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-difluoro-6-methylaniline;hydrochloride?
The IUPAC name of 3-bromo-2,4-difluoro-6-methylaniline;hydrochloride (CID 178161006) is 3-bromo-2,4-difluoro-6-methylaniline;hydrochloride.
What is the SMILES notation for 3-bromo-2,4-difluoro-6-methylaniline;hydrochloride?
The canonical SMILES for 3-bromo-2,4-difluoro-6-methylaniline;hydrochloride is Cc1cc(F)c(Br)c(F)c1N.Cl.
What is the InChIKey of 3-bromo-2,4-difluoro-6-methylaniline;hydrochloride?
The InChIKey is GTLBAWPIZBJGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N.ClH/c1-3-2-4(9)5(8)6(10)7(3)11;/h2H,11H2,1H3;1H.
What are the key properties of 3-bromo-2,4-difluoro-6-methylaniline;hydrochloride?
3-bromo-2,4-difluoro-6-methylaniline;hydrochloride has a molecular weight of 258.49 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-difluoro-6-methylaniline;hydrochloride is sourced from PubChem (CID 178161006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).