6-bromo-4-methoxy-2,3-dimethylaniline

C9H12BrNO — CID 151145179

IUPAC6-bromo-4-methoxy-2,3-dimethylaniline
SMILESCOc1cc(Br)c(N)c(C)c1C
InChIInChI=1S/C9H12BrNO/c1-5-6(2)9(11)7(10)4-8(5)12-3/h4H,11H2,1-3H3
InChIKeyMXAUJUJESRHJRV-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.66
Rot. Bonds1

About 6-bromo-4-methoxy-2,3-dimethylaniline

6-bromo-4-methoxy-2,3-dimethylaniline (PubChem CID 151145179) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 6-bromo-4-methoxy-2,3-dimethylaniline.

Molecular Properties

Compound Name6-bromo-4-methoxy-2,3-dimethylaniline
PubChem CID151145179
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name6-bromo-4-methoxy-2,3-dimethylaniline
SMILESCOc1cc(Br)c(N)c(C)c1C
InChIInChI=1S/C9H12BrNO/c1-5-6(2)9(11)7(10)4-8(5)12-3/h4H,11H2,1-3H3
InChIKeyMXAUJUJESRHJRV-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

6-bromo-3-methoxy-2-methylaniline
CID 67280395
6-bromo-3-chloro-2,4-dimethoxyaniline
CID 58946772
2-bromo-5-methoxy-3,6-dimethylaniline
CID 84736110
2-bromo-6-methoxybenzene-1,4-diamine
CID 10889334
5-bromo-3-methoxy-2-methylaniline
CID 27274725
2,6-dibromo-4-methoxyaniline
CID 542895
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
2,4-dimethoxy-3-methyl-6-propan-2-ylaniline
CID 102416676
3,4,6-tribromo-2-methylaniline
CID 164893724
3-bromo-5-methoxy-6-methylpyridin-2-amine
CID 130133402
7-bromo-2-methoxy-5-methylquinolin-6-amine
CID 167472630
2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline
CID 135142355

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxy-2,3-dimethylaniline?
The IUPAC name of 6-bromo-4-methoxy-2,3-dimethylaniline (CID 151145179) is 6-bromo-4-methoxy-2,3-dimethylaniline.
What is the SMILES notation for 6-bromo-4-methoxy-2,3-dimethylaniline?
The canonical SMILES for 6-bromo-4-methoxy-2,3-dimethylaniline is COc1cc(Br)c(N)c(C)c1C.
What is the InChIKey of 6-bromo-4-methoxy-2,3-dimethylaniline?
The InChIKey is MXAUJUJESRHJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-5-6(2)9(11)7(10)4-8(5)12-3/h4H,11H2,1-3H3.
What are the key properties of 6-bromo-4-methoxy-2,3-dimethylaniline?
6-bromo-4-methoxy-2,3-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 6-bromo-4-methoxy-2,3-dimethylaniline is sourced from PubChem (CID 151145179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).