4-(3-bromoprop-1-enyl)-2,3-dimethylaniline

C11H14BrN — CID 169475520

IUPAC4-(3-bromoprop-1-enyl)-2,3-dimethylaniline
SMILESCc1c(N)ccc(C=CCBr)c1C
InChIInChI=1S/C11H14BrN/c1-8-9(2)11(13)6-5-10(8)4-3-7-12/h3-6H,7,13H2,1-2H3
InChIKeyLLICAANOZWSRDA-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.29
Rot. Bonds2

About 4-(3-bromoprop-1-enyl)-2,3-dimethylaniline

4-(3-bromoprop-1-enyl)-2,3-dimethylaniline (PubChem CID 169475520) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-2,3-dimethylaniline.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-2,3-dimethylaniline
PubChem CID169475520
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name4-(3-bromoprop-1-enyl)-2,3-dimethylaniline
SMILESCc1c(N)ccc(C=CCBr)c1C
InChIInChI=1S/C11H14BrN/c1-8-9(2)11(13)6-5-10(8)4-3-7-12/h3-6H,7,13H2,1-2H3
InChIKeyLLICAANOZWSRDA-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromoprop-1-enyl)-4-methylaniline
CID 169475211
2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine
CID 169475153
3-(4-amino-2-fluoro-3-methylphenyl)prop-2-en-1-ol
CID 169453324
4-(3-bromoprop-1-enyl)-3-methylphenol
CID 169475109
2-amino-6-(3-bromoprop-1-enyl)phenol
CID 169475273
3-(3-bromoprop-1-enyl)-4-methylthiophene
CID 169474929
4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde
CID 155385012
6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine
CID 169475126
2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene
CID 169476606
4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine
CID 89071341
3-(3-bromoprop-1-enyl)-1,2,4,5-tetramethylbenzene
CID 169476516
3,4-dibromo-2-methylaniline
CID 19379030

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-1-enyl)-2,3-dimethylaniline?
The IUPAC name of 4-(3-bromoprop-1-enyl)-2,3-dimethylaniline (CID 169475520) is 4-(3-bromoprop-1-enyl)-2,3-dimethylaniline.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-2,3-dimethylaniline?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-2,3-dimethylaniline is Cc1c(N)ccc(C=CCBr)c1C.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-2,3-dimethylaniline?
The InChIKey is LLICAANOZWSRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-9(2)11(13)6-5-10(8)4-3-7-12/h3-6H,7,13H2,1-2H3.
What are the key properties of 4-(3-bromoprop-1-enyl)-2,3-dimethylaniline?
4-(3-bromoprop-1-enyl)-2,3-dimethylaniline has a molecular weight of 240.14 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-2,3-dimethylaniline is sourced from PubChem (CID 169475520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).