2-bromo-N-methyl-N-(2-methylpropyl)aniline

C11H16BrN — CID 11149184

IUPAC2-bromo-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-9(2)8-13(3)11-7-5-4-6-10(11)12/h4-7,9H,8H2,1-3H3
InChIKeyNLIMNOPHSFDWBY-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.54
Rot. Bonds3

About 2-bromo-N-methyl-N-(2-methylpropyl)aniline

2-bromo-N-methyl-N-(2-methylpropyl)aniline (PubChem CID 11149184) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(2-methylpropyl)aniline
PubChem CID11149184
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name2-bromo-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-9(2)8-13(3)11-7-5-4-6-10(11)12/h4-7,9H,8H2,1-3H3
InChIKeyNLIMNOPHSFDWBY-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 2-bromo-N-methyl-N-(2-methylpropyl)aniline (CID 11149184) is 2-bromo-N-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-bromo-N-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-bromo-N-methyl-N-(2-methylpropyl)aniline is CC(C)CN(C)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(2-methylpropyl)aniline?
The InChIKey is NLIMNOPHSFDWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-9(2)8-13(3)11-7-5-4-6-10(11)12/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-bromo-N-methyl-N-(2-methylpropyl)aniline?
2-bromo-N-methyl-N-(2-methylpropyl)aniline has a molecular weight of 242.16 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 11149184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).