3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol

C15H22N2O2 — CID 83945213

IUPAC3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
SMILESCOc1ccc2c(CCCO)cn(CCCN)c2c1
InChIInChI=1S/C15H22N2O2/c1-19-13-5-6-14-12(4-2-9-18)11-17(8-3-7-16)15(14)10-13/h5-6,10-11,18H,2-4,7-9,16H2,1H3
InChIKeyFMAPIKXEORFHRW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.92
Rot. Bonds7

About 3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol

3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol (PubChem CID 83945213) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
PubChem CID83945213
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
SMILESCOc1ccc2c(CCCO)cn(CCCN)c2c1
InChIInChI=1S/C15H22N2O2/c1-19-13-5-6-14-12(4-2-9-18)11-17(8-3-7-16)15(14)10-13/h5-6,10-11,18H,2-4,7-9,16H2,1H3
InChIKeyFMAPIKXEORFHRW-UHFFFAOYSA-N
XLogP1.92
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol (CID 83945213) is 3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol is COc1ccc2c(CCCO)cn(CCCN)c2c1.
What is the InChIKey of 3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol?
The InChIKey is FMAPIKXEORFHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-13-5-6-14-12(4-2-9-18)11-17(8-3-7-16)15(14)10-13/h5-6,10-11,18H,2-4,7-9,16H2,1H3.
What are the key properties of 3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol?
3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol is sourced from PubChem (CID 83945213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).