3-(3-bromoindol-1-yl)-N-propylpropan-1-amine

C14H19BrN2 — CID 62804653

IUPAC3-(3-bromoindol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCn1cc(Br)c2ccccc21
InChIInChI=1S/C14H19BrN2/c1-2-8-16-9-5-10-17-11-13(15)12-6-3-4-7-14(12)17/h3-4,6-7,11,16H,2,5,8-10H2,1H3
InChIKeyXLAINUHTZGDIGE-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.79
Rot. Bonds6

About 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine

3-(3-bromoindol-1-yl)-N-propylpropan-1-amine (PubChem CID 62804653) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromoindol-1-yl)-N-propylpropan-1-amine
PubChem CID62804653
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name3-(3-bromoindol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCn1cc(Br)c2ccccc21
InChIInChI=1S/C14H19BrN2/c1-2-8-16-9-5-10-17-11-13(15)12-6-3-4-7-14(12)17/h3-4,6-7,11,16H,2,5,8-10H2,1H3
InChIKeyXLAINUHTZGDIGE-UHFFFAOYSA-N
XLogP3.79
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine 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-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine
CID 63506657
N-[3-(3-bromoindol-1-yl)propyl]aniline
CID 63506327
3-(4-fluoroindol-1-yl)-N-propylpropan-1-amine
CID 82791789
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine
CID 63506495
2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine
CID 62565422
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
1-[3-(propylamino)propyl]cinnolin-4-one
CID 61387894
3-(3-chloroindol-1-yl)-N-methylpropan-1-amine
CID 62804121
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine (CID 62804653) is 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine is CCCNCCCn1cc(Br)c2ccccc21.
What is the InChIKey of 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine?
The InChIKey is XLAINUHTZGDIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-2-8-16-9-5-10-17-11-13(15)12-6-3-4-7-14(12)17/h3-4,6-7,11,16H,2,5,8-10H2,1H3.
What are the key properties of 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine?
3-(3-bromoindol-1-yl)-N-propylpropan-1-amine has a molecular weight of 295.22 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoindol-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62804653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).