1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole

C22H24Cl2N2O — CID 141113079

IUPAC1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole
SMILESClc1ccc(CCCOc2ccc3c(ccn3CCN3CCC3)c2)c(Cl)c1
InChIInChI=1S/C22H24Cl2N2O/c23-19-5-4-17(21(24)16-19)3-1-14-27-20-6-7-22-18(15-20)8-11-26(22)13-12-25-9-2-10-25/h4-8,11,15-16H,1-3,9-10,12-14H2
InChIKeyAAPUMHYGIJEFIW-UHFFFAOYSA-N
MW403.35 g/mol
LogP5.67
Rot. Bonds8

About 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole

1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole (PubChem CID 141113079) has the molecular formula C22H24Cl2N2O and a molecular weight of 403.35 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole
PubChem CID141113079
Molecular FormulaC22H24Cl2N2O
Molecular Weight403.35 g/mol
Exact Mass402.13
IUPAC Name1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole
SMILESClc1ccc(CCCOc2ccc3c(ccn3CCN3CCC3)c2)c(Cl)c1
InChIInChI=1S/C22H24Cl2N2O/c23-19-5-4-17(21(24)16-19)3-1-14-27-20-6-7-22-18(15-20)8-11-26(22)13-12-25-9-2-10-25/h4-8,11,15-16H,1-3,9-10,12-14H2
InChIKeyAAPUMHYGIJEFIW-UHFFFAOYSA-N
XLogP5.67
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole 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

5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
1-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole
CID 154694215
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
1-[2-(aziridin-1-yl)ethyl]-5-(trifluoromethoxy)indole
CID 154694278
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
CID 140981807
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole?
The IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole (CID 141113079) is 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole.
What is the SMILES notation for 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole?
The canonical SMILES for 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole is Clc1ccc(CCCOc2ccc3c(ccn3CCN3CCC3)c2)c(Cl)c1.
What is the InChIKey of 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole?
The InChIKey is AAPUMHYGIJEFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O/c23-19-5-4-17(21(24)16-19)3-1-14-27-20-6-7-22-18(15-20)8-11-26(22)13-12-25-9-2-10-25/h4-8,11,15-16H,1-3,9-10,12-14H2.
What are the key properties of 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole?
1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole has a molecular weight of 403.35 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole is sourced from PubChem (CID 141113079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).