2-bromo-6-methoxy-3-methylaniline

C8H10BrNO — CID 84784559

IUPAC2-bromo-6-methoxy-3-methylaniline
SMILESCOc1ccc(C)c(Br)c1N
InChIInChI=1S/C8H10BrNO/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4H,10H2,1-2H3
InChIKeyQLMATXYSLBOKEO-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.35
Rot. Bonds1

About 2-bromo-6-methoxy-3-methylaniline

2-bromo-6-methoxy-3-methylaniline (PubChem CID 84784559) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-bromo-6-methoxy-3-methylaniline.

Molecular Properties

Compound Name2-bromo-6-methoxy-3-methylaniline
PubChem CID84784559
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name2-bromo-6-methoxy-3-methylaniline
SMILESCOc1ccc(C)c(Br)c1N
InChIInChI=1S/C8H10BrNO/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4H,10H2,1-2H3
InChIKeyQLMATXYSLBOKEO-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.35
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-fluoro-6-methoxy-3-methylaniline
CID 84763578
2-chloro-6-methoxy-3-methylaniline
CID 84766117
2-bromo-5-methoxy-3,6-dimethylaniline
CID 84736110
6-bromo-3-methoxy-2-methylaniline
CID 67280395
3-bromo-2-methoxy-4-methylaniline
CID 82613869
5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117453081
N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine
CID 84806414
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
CID 131481982
2-amino-6-bromo-3-methoxybenzonitrile
CID 82013372
2,7-dimethoxynaphthalene-1,8-diamine
CID 12868710
3-bromo-2-methoxy-6-methylaniline
CID 84723819
3-fluoro-6-methoxy-2-methylaniline;hydrochloride
CID 162333711

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-3-methylaniline?
The IUPAC name of 2-bromo-6-methoxy-3-methylaniline (CID 84784559) is 2-bromo-6-methoxy-3-methylaniline.
What is the SMILES notation for 2-bromo-6-methoxy-3-methylaniline?
The canonical SMILES for 2-bromo-6-methoxy-3-methylaniline is COc1ccc(C)c(Br)c1N.
What is the InChIKey of 2-bromo-6-methoxy-3-methylaniline?
The InChIKey is QLMATXYSLBOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4H,10H2,1-2H3.
What are the key properties of 2-bromo-6-methoxy-3-methylaniline?
2-bromo-6-methoxy-3-methylaniline has a molecular weight of 216.08 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-3-methylaniline is sourced from PubChem (CID 84784559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).