4-bromo-N,N-diethyl-2-methylaniline

C11H16BrN — CID 66672065

IUPAC4-bromo-N,N-diethyl-2-methylaniline
SMILESCCN(CC)c1ccc(Br)cc1C
InChIInChI=1S/C11H16BrN/c1-4-13(5-2)11-7-6-10(12)8-9(11)3/h6-8H,4-5H2,1-3H3
InChIKeyQJQJOXXMUPSHLL-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.60
Rot. Bonds3

About 4-bromo-N,N-diethyl-2-methylaniline

4-bromo-N,N-diethyl-2-methylaniline (PubChem CID 66672065) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-bromo-N,N-diethyl-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N,N-diethyl-2-methylaniline
PubChem CID66672065
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name4-bromo-N,N-diethyl-2-methylaniline
SMILESCCN(CC)c1ccc(Br)cc1C
InChIInChI=1S/C11H16BrN/c1-4-13(5-2)11-7-6-10(12)8-9(11)3/h6-8H,4-5H2,1-3H3
InChIKeyQJQJOXXMUPSHLL-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diethyl-2-methylaniline?
The IUPAC name of 4-bromo-N,N-diethyl-2-methylaniline (CID 66672065) is 4-bromo-N,N-diethyl-2-methylaniline.
What is the SMILES notation for 4-bromo-N,N-diethyl-2-methylaniline?
The canonical SMILES for 4-bromo-N,N-diethyl-2-methylaniline is CCN(CC)c1ccc(Br)cc1C.
What is the InChIKey of 4-bromo-N,N-diethyl-2-methylaniline?
The InChIKey is QJQJOXXMUPSHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-4-13(5-2)11-7-6-10(12)8-9(11)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-bromo-N,N-diethyl-2-methylaniline?
4-bromo-N,N-diethyl-2-methylaniline has a molecular weight of 242.16 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethyl-2-methylaniline is sourced from PubChem (CID 66672065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).