2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline

C11H14BrN — CID 153376329

IUPAC2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(C)c(Br)c1NC
InChIInChI=1S/C11H14BrN/c1-7(2)9-6-5-8(3)10(12)11(9)13-4/h5-6,13H,1H2,2-4H3
InChIKeyILDMXFROKDBGEU-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.83
Rot. Bonds2

About 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline

2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline (PubChem CID 153376329) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline
PubChem CID153376329
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(C)c(Br)c1NC
InChIInChI=1S/C11H14BrN/c1-7(2)9-6-5-8(3)10(12)11(9)13-4/h5-6,13H,1H2,2-4H3
InChIKeyILDMXFROKDBGEU-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

actinium;3-methyl-4-prop-1-en-2-ylphenol
CID 20669254
1,2,3,4-tetrakis(prop-1-en-2-yl)benzene
CID 19429816
2,4-dimethyl-3-(methylamino)benzoic acid
CID 144869616
2-bromo-3-fluoro-1,4-dimethylbenzene
CID 59160806
2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene
CID 143363973
azanylidyneazanium;2-bromo-1,3,4-trimethylbenzene;tetrafluoroborate
CID 175521890
4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran
CID 167121438
1-(2-bromo-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 107985164
1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84709294
4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene
CID 134396698
1-bromo-4-methyl-2-prop-1-en-2-ylbenzene
CID 101458254
4-methyl-3-prop-1-en-2-ylbenzenethiol
CID 142019930

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline?
The IUPAC name of 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline (CID 153376329) is 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline.
What is the SMILES notation for 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline?
The canonical SMILES for 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline is C=C(C)c1ccc(C)c(Br)c1NC.
What is the InChIKey of 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline?
The InChIKey is ILDMXFROKDBGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-7(2)9-6-5-8(3)10(12)11(9)13-4/h5-6,13H,1H2,2-4H3.
What are the key properties of 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline?
2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline has a molecular weight of 240.14 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,3-dimethyl-6-prop-1-en-2-ylaniline is sourced from PubChem (CID 153376329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).