3-bromo-2-methoxy-N-methylaniline

C8H10BrNO — CID 83704747

IUPAC3-bromo-2-methoxy-N-methylaniline
SMILESCNc1cccc(Br)c1OC
InChIInChI=1S/C8H10BrNO/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,10H,1-2H3
InChIKeyXNWWVRXMSRFYMY-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.50
Rot. Bonds2

About 3-bromo-2-methoxy-N-methylaniline

3-bromo-2-methoxy-N-methylaniline (PubChem CID 83704747) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 3-bromo-2-methoxy-N-methylaniline.

Molecular Properties

Compound Name3-bromo-2-methoxy-N-methylaniline
PubChem CID83704747
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name3-bromo-2-methoxy-N-methylaniline
SMILESCNc1cccc(Br)c1OC
InChIInChI=1S/C8H10BrNO/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,10H,1-2H3
InChIKeyXNWWVRXMSRFYMY-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methoxy-N-methylaniline?
The IUPAC name of 3-bromo-2-methoxy-N-methylaniline (CID 83704747) is 3-bromo-2-methoxy-N-methylaniline.
What is the SMILES notation for 3-bromo-2-methoxy-N-methylaniline?
The canonical SMILES for 3-bromo-2-methoxy-N-methylaniline is CNc1cccc(Br)c1OC.
What is the InChIKey of 3-bromo-2-methoxy-N-methylaniline?
The InChIKey is XNWWVRXMSRFYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,10H,1-2H3.
What are the key properties of 3-bromo-2-methoxy-N-methylaniline?
3-bromo-2-methoxy-N-methylaniline has a molecular weight of 216.08 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methoxy-N-methylaniline is sourced from PubChem (CID 83704747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).