2-(5-propoxy-1H-indol-3-yl)ethanamine

C13H18N2O — CID 10751317

IUPAC2-(5-propoxy-1H-indol-3-yl)ethanamine
SMILESCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C13H18N2O/c1-2-7-16-11-3-4-13-12(8-11)10(5-6-14)9-15-13/h3-4,8-9,15H,2,5-7,14H2,1H3
InChIKeySXHSCDTUUHPMSY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.46
Rot. Bonds5

About 2-(5-propoxy-1H-indol-3-yl)ethanamine

2-(5-propoxy-1H-indol-3-yl)ethanamine (PubChem CID 10751317) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(5-propoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-propoxy-1H-indol-3-yl)ethanamine
PubChem CID10751317
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(5-propoxy-1H-indol-3-yl)ethanamine
SMILESCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C13H18N2O/c1-2-7-16-11-3-4-13-12(8-11)10(5-6-14)9-15-13/h3-4,8-9,15H,2,5-7,14H2,1H3
InChIKeySXHSCDTUUHPMSY-UHFFFAOYSA-N
XLogP2.46
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 896
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CID 5202
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CID 4828
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CID 3564
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CID 10257
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CID 5280953
CID 5280953
CID 1833
CID 1833
CID 135409453
CID 135409453
CID 1832
CID 1832
CID 903
CID 903
CID 21071390
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CID 9061
CID 9061

Frequently Asked Questions

What is the IUPAC name of 2-(5-propoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-propoxy-1H-indol-3-yl)ethanamine (CID 10751317) is 2-(5-propoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-propoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-propoxy-1H-indol-3-yl)ethanamine is CCCOc1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 2-(5-propoxy-1H-indol-3-yl)ethanamine?
The InChIKey is SXHSCDTUUHPMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-7-16-11-3-4-13-12(8-11)10(5-6-14)9-15-13/h3-4,8-9,15H,2,5-7,14H2,1H3.
What are the key properties of 2-(5-propoxy-1H-indol-3-yl)ethanamine?
2-(5-propoxy-1H-indol-3-yl)ethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 10751317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).