4-bromo-2,3-dimethylaniline

C8H10BrN — CID 23436909

IUPAC4-bromo-2,3-dimethylaniline
SMILESCc1c(N)ccc(Br)c1C
InChIInChI=1S/C8H10BrN/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,10H2,1-2H3
InChIKeyYOBPAGXZBSWOHP-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.65
Rot. Bonds

About 4-bromo-2,3-dimethylaniline

4-bromo-2,3-dimethylaniline (PubChem CID 23436909) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 4-bromo-2,3-dimethylaniline.

Molecular Properties

Compound Name4-bromo-2,3-dimethylaniline
PubChem CID23436909
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name4-bromo-2,3-dimethylaniline
SMILESCc1c(N)ccc(Br)c1C
InChIInChI=1S/C8H10BrN/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,10H2,1-2H3
InChIKeyYOBPAGXZBSWOHP-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.65
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

CID 11423
CID 11423
CID 75303
CID 75303
CID 123538
CID 123538
CID 2801283
CID 2801283
CID 3018526
CID 3018526
CID 7018040
CID 7018040
CID 12383117
CID 12383117
CID 23359
CID 23359
CID 613569
CID 613569
CID 2801282
CID 2801282
CID 603781
CID 603781
CID 611452
CID 611452

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dimethylaniline?
The IUPAC name of 4-bromo-2,3-dimethylaniline (CID 23436909) is 4-bromo-2,3-dimethylaniline.
What is the SMILES notation for 4-bromo-2,3-dimethylaniline?
The canonical SMILES for 4-bromo-2,3-dimethylaniline is Cc1c(N)ccc(Br)c1C.
What is the InChIKey of 4-bromo-2,3-dimethylaniline?
The InChIKey is YOBPAGXZBSWOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,10H2,1-2H3.
What are the key properties of 4-bromo-2,3-dimethylaniline?
4-bromo-2,3-dimethylaniline has a molecular weight of 200.08 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dimethylaniline is sourced from PubChem (CID 23436909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).