4-Bromo-2-ethyl-6-methylaniline

C9H12BrN — CID 960761

IUPAC4-bromo-2-ethyl-6-methylaniline
SMILESCCC1=C(C(=CC(=C1)Br)C)N
InChIInChI=1S/C9H12BrN/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3,11H2,1-2H3
InChIKeyRPWYIXIMJZSTQX-UHFFFAOYSA-N
MW214.10 g/mol
LogP3.10
Rot. Bonds1

About 4-Bromo-2-ethyl-6-methylaniline

4-Bromo-2-ethyl-6-methylaniline (PubChem CID 960761) has the molecular formula C9H12BrN and a molecular weight of 214.10 g/mol. Its IUPAC name is 4-bromo-2-ethyl-6-methylaniline.

Molecular Properties

Compound Name4-Bromo-2-ethyl-6-methylaniline
PubChem CID960761
Molecular FormulaC9H12BrN
Molecular Weight214.10 g/mol
Exact Mass213.02
IUPAC Name4-bromo-2-ethyl-6-methylaniline
SMILESCCC1=C(C(=CC(=C1)Br)C)N
InChIInChI=1S/C9H12BrN/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3,11H2,1-2H3
InChIKeyRPWYIXIMJZSTQX-UHFFFAOYSA-N
XLogP3.10
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity127

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.10
LogP ≤ 53.10
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

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
4-Bromo-3,5-dimethylaniline
CID 12383117
2-Bromo-4,6-dimethylaniline
CID 170579
2-Amino-3,5-dibromotoluene
CID 458688
4-Bromo-2,6-diisopropylaniline
CID 11780114
Benzenamine, 4-bromo-2-ethyl-, hydrochloride (1:1)
CID 2801282
4-bromo-N,N,2,6-tetramethylaniline
CID 142731
2-Bromo-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-6-(trifluoromethyl)benzenamine
CID 58297558
4-Bromo-2,6-diethylaniline
CID 611452

Frequently Asked Questions

What is the IUPAC name of 4-Bromo-2-ethyl-6-methylaniline?
The IUPAC name of 4-Bromo-2-ethyl-6-methylaniline (CID 960761) is 4-bromo-2-ethyl-6-methylaniline.
What is the SMILES notation for 4-Bromo-2-ethyl-6-methylaniline?
The canonical SMILES for 4-Bromo-2-ethyl-6-methylaniline is CCC1=C(C(=CC(=C1)Br)C)N.
What is the InChIKey of 4-Bromo-2-ethyl-6-methylaniline?
The InChIKey is RPWYIXIMJZSTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3,11H2,1-2H3.
What are the key properties of 4-Bromo-2-ethyl-6-methylaniline?
4-Bromo-2-ethyl-6-methylaniline has a molecular weight of 214.10 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Bromo-2-ethyl-6-methylaniline is sourced from PubChem (CID 960761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).