4-bromo-N-hex-5-en-2-yl-3-methylaniline

C13H18BrN — CID 104655310

IUPAC4-bromo-N-hex-5-en-2-yl-3-methylaniline
SMILESC=CCCC(C)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C13H18BrN/c1-4-5-6-11(3)15-12-7-8-13(14)10(2)9-12/h4,7-9,11,15H,1,5-6H2,2-3H3
InChIKeyZRZJCYYHXBUYBY-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.52
Rot. Bonds5

About 4-bromo-N-hex-5-en-2-yl-3-methylaniline

4-bromo-N-hex-5-en-2-yl-3-methylaniline (PubChem CID 104655310) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 4-bromo-N-hex-5-en-2-yl-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-hex-5-en-2-yl-3-methylaniline
PubChem CID104655310
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name4-bromo-N-hex-5-en-2-yl-3-methylaniline
SMILESC=CCCC(C)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C13H18BrN/c1-4-5-6-11(3)15-12-7-8-13(14)10(2)9-12/h4,7-9,11,15H,1,5-6H2,2-3H3
InChIKeyZRZJCYYHXBUYBY-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-N-hex-5-en-2-yl-3-methylaniline 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

N-hex-5-en-2-yl-4-methylaniline
CID 75525041
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017
N-hex-5-en-2-yl-3-methyl-4-nitroaniline
CID 104655675
2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
CID 103387117
3-bromo-N-hex-5-en-2-yl-4-(trifluoromethoxy)aniline
CID 107335831
N-[5-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104583832
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724
5-bromo-N-hex-5-en-2-ylpyridin-3-amine
CID 104583994
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine
CID 104584102
N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
CID 104655447

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-hex-5-en-2-yl-3-methylaniline?
The IUPAC name of 4-bromo-N-hex-5-en-2-yl-3-methylaniline (CID 104655310) is 4-bromo-N-hex-5-en-2-yl-3-methylaniline.
What is the SMILES notation for 4-bromo-N-hex-5-en-2-yl-3-methylaniline?
The canonical SMILES for 4-bromo-N-hex-5-en-2-yl-3-methylaniline is C=CCCC(C)Nc1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-hex-5-en-2-yl-3-methylaniline?
The InChIKey is ZRZJCYYHXBUYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-4-5-6-11(3)15-12-7-8-13(14)10(2)9-12/h4,7-9,11,15H,1,5-6H2,2-3H3.
What are the key properties of 4-bromo-N-hex-5-en-2-yl-3-methylaniline?
4-bromo-N-hex-5-en-2-yl-3-methylaniline has a molecular weight of 268.20 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-hex-5-en-2-yl-3-methylaniline is sourced from PubChem (CID 104655310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).