2-bromo-N-ethyl-5-methylaniline

C9H12BrN — CID 71055565

IUPAC2-bromo-N-ethyl-5-methylaniline
SMILESCCNc1cc(C)ccc1Br
InChIInChI=1S/C9H12BrN/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyLCXWPSWZMZHLOH-UHFFFAOYSA-N
MW214.11 g/mol
LogP3.19
Rot. Bonds2

About 2-bromo-N-ethyl-5-methylaniline

2-bromo-N-ethyl-5-methylaniline (PubChem CID 71055565) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-bromo-N-ethyl-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-ethyl-5-methylaniline
PubChem CID71055565
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name2-bromo-N-ethyl-5-methylaniline
SMILESCCNc1cc(C)ccc1Br
InChIInChI=1S/C9H12BrN/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyLCXWPSWZMZHLOH-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-5-methylaniline?
The IUPAC name of 2-bromo-N-ethyl-5-methylaniline (CID 71055565) is 2-bromo-N-ethyl-5-methylaniline.
What is the SMILES notation for 2-bromo-N-ethyl-5-methylaniline?
The canonical SMILES for 2-bromo-N-ethyl-5-methylaniline is CCNc1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-5-methylaniline?
The InChIKey is LCXWPSWZMZHLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,11H,3H2,1-2H3.
What are the key properties of 2-bromo-N-ethyl-5-methylaniline?
2-bromo-N-ethyl-5-methylaniline has a molecular weight of 214.11 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-5-methylaniline is sourced from PubChem (CID 71055565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).