2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol

C15H22N2O3 — CID 83944570

IUPAC2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
SMILESCOc1cc2c(CCCN)cn(CCO)c2cc1OC
InChIInChI=1S/C15H22N2O3/c1-19-14-8-12-11(4-3-5-16)10-17(6-7-18)13(12)9-15(14)20-2/h8-10,18H,3-7,16H2,1-2H3
InChIKeyWSKOOOCEOMSNSK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.54
Rot. Bonds7

About 2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol

2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol (PubChem CID 83944570) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
PubChem CID83944570
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
SMILESCOc1cc2c(CCCN)cn(CCO)c2cc1OC
InChIInChI=1S/C15H22N2O3/c1-19-14-8-12-11(4-3-5-16)10-17(6-7-18)13(12)9-15(14)20-2/h8-10,18H,3-7,16H2,1-2H3
InChIKeyWSKOOOCEOMSNSK-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
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-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
CID 83948898
3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
CID 83945213
2-[3-(3-hydroxypropyl)-5,6-dimethoxyindol-1-yl]acetic acid
CID 83944581
3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963394
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
CID 83944729
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348
2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
CID 83948446
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
CID 83944715

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol?
The IUPAC name of 2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol (CID 83944570) is 2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol?
The canonical SMILES for 2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol is COc1cc2c(CCCN)cn(CCO)c2cc1OC.
What is the InChIKey of 2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol?
The InChIKey is WSKOOOCEOMSNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14-8-12-11(4-3-5-16)10-17(6-7-18)13(12)9-15(14)20-2/h8-10,18H,3-7,16H2,1-2H3.
What are the key properties of 2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol?
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol has a molecular weight of 278.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol is sourced from PubChem (CID 83944570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).