3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine

C19H29N3O2 — CID 83948898

IUPAC3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
SMILESCOc1cc2c(CCN3CCCC3)cn(CCCN)c2cc1OC
InChIInChI=1S/C19H29N3O2/c1-23-18-12-16-15(6-11-21-8-3-4-9-21)14-22(10-5-7-20)17(16)13-19(18)24-2/h12-14H,3-11,20H2,1-2H3
InChIKeyGNADUCFIANMXCC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.65
Rot. Bonds8

About 3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine

3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine (PubChem CID 83948898) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
PubChem CID83948898
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
SMILESCOc1cc2c(CCN3CCCC3)cn(CCCN)c2cc1OC
InChIInChI=1S/C19H29N3O2/c1-23-18-12-16-15(6-11-21-8-3-4-9-21)14-22(10-5-7-20)17(16)13-19(18)24-2/h12-14H,3-11,20H2,1-2H3
InChIKeyGNADUCFIANMXCC-UHFFFAOYSA-N
XLogP2.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
CID 83948930
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
1-butyl-5-methyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83947013
3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
CID 83948673
2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
CID 83948446
1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946975
1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946979
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289

Frequently Asked Questions

What is the IUPAC name of 3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine?
The IUPAC name of 3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine (CID 83948898) is 3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine is COc1cc2c(CCN3CCCC3)cn(CCCN)c2cc1OC.
What is the InChIKey of 3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine?
The InChIKey is GNADUCFIANMXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-23-18-12-16-15(6-11-21-8-3-4-9-21)14-22(10-5-7-20)17(16)13-19(18)24-2/h12-14H,3-11,20H2,1-2H3.
What are the key properties of 3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine?
3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine has a molecular weight of 331.46 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 83948898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).