4-(4-bromoindol-1-yl)-N-methylbutan-1-amine

C13H17BrN2 — CID 115352042

IUPAC4-(4-bromoindol-1-yl)-N-methylbutan-1-amine
SMILESCNCCCCn1ccc2c(Br)cccc21
InChIInChI=1S/C13H17BrN2/c1-15-8-2-3-9-16-10-7-11-12(14)5-4-6-13(11)16/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyFSUWYPXDVYMGSF-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.40
Rot. Bonds5

About 4-(4-bromoindol-1-yl)-N-methylbutan-1-amine

4-(4-bromoindol-1-yl)-N-methylbutan-1-amine (PubChem CID 115352042) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 4-(4-bromoindol-1-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromoindol-1-yl)-N-methylbutan-1-amine
PubChem CID115352042
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name4-(4-bromoindol-1-yl)-N-methylbutan-1-amine
SMILESCNCCCCn1ccc2c(Br)cccc21
InChIInChI=1S/C13H17BrN2/c1-15-8-2-3-9-16-10-7-11-12(14)5-4-6-13(11)16/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyFSUWYPXDVYMGSF-UHFFFAOYSA-N
XLogP3.40
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromoindol-1-yl)propan-1-ol
CID 66827430
methyl 4-(4-bromoindol-1-yl)butanoate
CID 115351462
4-bromo-1-(4-phenylbutyl)indole
CID 114334837
4-bromo-1-(3-phenylpropyl)indole
CID 116625927
2-(4-bromoindol-1-yl)ethanol
CID 66827454
4-bromo-1-(2-methylsulfanylethyl)indole
CID 116626132
N-[2-(4-bromoindol-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 115352025
2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
CID 116626047
3-[3-(4-bromoindol-1-yl)propoxy]aniline
CID 115351430
4-bromo-1-[2-(trifluoromethoxy)ethyl]indole
CID 116626212
4-bromo-1-(2-pyridin-4-ylethyl)indole
CID 116625918
2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 113292195

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromoindol-1-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-(4-bromoindol-1-yl)-N-methylbutan-1-amine (CID 115352042) is 4-(4-bromoindol-1-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(4-bromoindol-1-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(4-bromoindol-1-yl)-N-methylbutan-1-amine is CNCCCCn1ccc2c(Br)cccc21.
What is the InChIKey of 4-(4-bromoindol-1-yl)-N-methylbutan-1-amine?
The InChIKey is FSUWYPXDVYMGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-15-8-2-3-9-16-10-7-11-12(14)5-4-6-13(11)16/h4-7,10,15H,2-3,8-9H2,1H3.
What are the key properties of 4-(4-bromoindol-1-yl)-N-methylbutan-1-amine?
4-(4-bromoindol-1-yl)-N-methylbutan-1-amine has a molecular weight of 281.20 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromoindol-1-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 115352042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).