6-bromo-3-methoxy-2-methylaniline

C8H10BrNO — CID 67280395

IUPAC6-bromo-3-methoxy-2-methylaniline
SMILESCOc1ccc(Br)c(N)c1C
InChIInChI=1S/C8H10BrNO/c1-5-7(11-2)4-3-6(9)8(5)10/h3-4H,10H2,1-2H3
InChIKeyRBWZOMNQRWINDY-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.35
Rot. Bonds1

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

6-bromo-3-methoxy-2-methylaniline (PubChem CID 67280395) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 6-bromo-3-methoxy-2-methylaniline.

Molecular Properties

Compound Name6-bromo-3-methoxy-2-methylaniline
PubChem CID67280395
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name6-bromo-3-methoxy-2-methylaniline
SMILESCOc1ccc(Br)c(N)c1C
InChIInChI=1S/C8H10BrNO/c1-5-7(11-2)4-3-6(9)8(5)10/h3-4H,10H2,1-2H3
InChIKeyRBWZOMNQRWINDY-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxy-2-methylaniline?
The IUPAC name of 6-bromo-3-methoxy-2-methylaniline (CID 67280395) is 6-bromo-3-methoxy-2-methylaniline.
What is the SMILES notation for 6-bromo-3-methoxy-2-methylaniline?
The canonical SMILES for 6-bromo-3-methoxy-2-methylaniline is COc1ccc(Br)c(N)c1C.
What is the InChIKey of 6-bromo-3-methoxy-2-methylaniline?
The InChIKey is RBWZOMNQRWINDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-7(11-2)4-3-6(9)8(5)10/h3-4H,10H2,1-2H3.
What are the key properties of 6-bromo-3-methoxy-2-methylaniline?
6-bromo-3-methoxy-2-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 6-bromo-3-methoxy-2-methylaniline is sourced from PubChem (CID 67280395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).