2-bromo-5-methoxy-3,6-dimethylaniline

C9H12BrNO — CID 84736110

IUPAC2-bromo-5-methoxy-3,6-dimethylaniline
SMILESCOc1cc(C)c(Br)c(N)c1C
InChIInChI=1S/C9H12BrNO/c1-5-4-7(12-3)6(2)9(11)8(5)10/h4H,11H2,1-3H3
InChIKeyKQWQFQIUKWOVHX-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.66
Rot. Bonds1

About 2-bromo-5-methoxy-3,6-dimethylaniline

2-bromo-5-methoxy-3,6-dimethylaniline (PubChem CID 84736110) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-bromo-5-methoxy-3,6-dimethylaniline.

Molecular Properties

Compound Name2-bromo-5-methoxy-3,6-dimethylaniline
PubChem CID84736110
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-bromo-5-methoxy-3,6-dimethylaniline
SMILESCOc1cc(C)c(Br)c(N)c1C
InChIInChI=1S/C9H12BrNO/c1-5-4-7(12-3)6(2)9(11)8(5)10/h4H,11H2,1-3H3
InChIKeyKQWQFQIUKWOVHX-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
6-bromo-4-methoxy-2,3-dimethylaniline
CID 151145179
2-bromo-6-methoxy-3-methylaniline
CID 84784559
6-methoxy-3,4-dimethylbenzene-1,2-diamine
CID 151295831
6-bromo-3-methoxy-2-methylaniline
CID 67280395
5-bromo-3-methoxy-2-methylaniline
CID 27274725
2-amino-3-bromo-5-methoxy-4-methylbenzamide
CID 172598831
(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
CID 84802792
3-bromo-6-methoxy-2,4-dimethylbenzonitrile
CID 50883121
methyl 2-amino-6-bromo-5-methoxy-3-methylbenzoate
CID 151904268
(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
CID 84710081
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-3,6-dimethylaniline?
The IUPAC name of 2-bromo-5-methoxy-3,6-dimethylaniline (CID 84736110) is 2-bromo-5-methoxy-3,6-dimethylaniline.
What is the SMILES notation for 2-bromo-5-methoxy-3,6-dimethylaniline?
The canonical SMILES for 2-bromo-5-methoxy-3,6-dimethylaniline is COc1cc(C)c(Br)c(N)c1C.
What is the InChIKey of 2-bromo-5-methoxy-3,6-dimethylaniline?
The InChIKey is KQWQFQIUKWOVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-5-4-7(12-3)6(2)9(11)8(5)10/h4H,11H2,1-3H3.
What are the key properties of 2-bromo-5-methoxy-3,6-dimethylaniline?
2-bromo-5-methoxy-3,6-dimethylaniline has a molecular weight of 230.10 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-3,6-dimethylaniline is sourced from PubChem (CID 84736110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).