2-bromo-3-chloro-N-methylaniline

C7H7BrClN — CID 11843302

IUPAC2-bromo-3-chloro-N-methylaniline
SMILESCNc1cccc(Cl)c1Br
InChIInChI=1S/C7H7BrClN/c1-10-6-4-2-3-5(9)7(6)8/h2-4,10H,1H3
InChIKeyUTZZILXFEZHREY-UHFFFAOYSA-N
MW220.50 g/mol
LogP3.14
Rot. Bonds1

About 2-bromo-3-chloro-N-methylaniline

2-bromo-3-chloro-N-methylaniline (PubChem CID 11843302) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-methylaniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-methylaniline
PubChem CID11843302
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name2-bromo-3-chloro-N-methylaniline
SMILESCNc1cccc(Cl)c1Br
InChIInChI=1S/C7H7BrClN/c1-10-6-4-2-3-5(9)7(6)8/h2-4,10H,1H3
InChIKeyUTZZILXFEZHREY-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-methylaniline?
The IUPAC name of 2-bromo-3-chloro-N-methylaniline (CID 11843302) is 2-bromo-3-chloro-N-methylaniline.
What is the SMILES notation for 2-bromo-3-chloro-N-methylaniline?
The canonical SMILES for 2-bromo-3-chloro-N-methylaniline is CNc1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-methylaniline?
The InChIKey is UTZZILXFEZHREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c1-10-6-4-2-3-5(9)7(6)8/h2-4,10H,1H3.
What are the key properties of 2-bromo-3-chloro-N-methylaniline?
2-bromo-3-chloro-N-methylaniline has a molecular weight of 220.50 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-methylaniline is sourced from PubChem (CID 11843302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).