2-(5-propoxyindol-1-yl)ethanamine

C13H18N2O — CID 80643088

IUPAC2-(5-propoxyindol-1-yl)ethanamine
SMILESCCCOc1ccc2c(ccn2CCN)c1
InChIInChI=1S/C13H18N2O/c1-2-9-16-12-3-4-13-11(10-12)5-7-15(13)8-6-14/h3-5,7,10H,2,6,8-9,14H2,1H3
InChIKeyMHWCRXYDXMGFID-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.39
Rot. Bonds5

About 2-(5-propoxyindol-1-yl)ethanamine

2-(5-propoxyindol-1-yl)ethanamine (PubChem CID 80643088) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(5-propoxyindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-propoxyindol-1-yl)ethanamine
PubChem CID80643088
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(5-propoxyindol-1-yl)ethanamine
SMILESCCCOc1ccc2c(ccn2CCN)c1
InChIInChI=1S/C13H18N2O/c1-2-9-16-12-3-4-13-11(10-12)5-7-15(13)8-6-14/h3-5,7,10H,2,6,8-9,14H2,1H3
InChIKeyMHWCRXYDXMGFID-UHFFFAOYSA-N
XLogP2.39
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propoxyindol-1-yl)ethanamine?
The IUPAC name of 2-(5-propoxyindol-1-yl)ethanamine (CID 80643088) is 2-(5-propoxyindol-1-yl)ethanamine.
What is the SMILES notation for 2-(5-propoxyindol-1-yl)ethanamine?
The canonical SMILES for 2-(5-propoxyindol-1-yl)ethanamine is CCCOc1ccc2c(ccn2CCN)c1.
What is the InChIKey of 2-(5-propoxyindol-1-yl)ethanamine?
The InChIKey is MHWCRXYDXMGFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-9-16-12-3-4-13-11(10-12)5-7-15(13)8-6-14/h3-5,7,10H,2,6,8-9,14H2,1H3.
What are the key properties of 2-(5-propoxyindol-1-yl)ethanamine?
2-(5-propoxyindol-1-yl)ethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propoxyindol-1-yl)ethanamine is sourced from PubChem (CID 80643088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).