3-(7-ethoxy-1H-indol-3-yl)propan-1-amine

C13H18N2O — CID 82374015

IUPAC3-(7-ethoxy-1H-indol-3-yl)propan-1-amine
SMILESCCOc1cccc2c(CCCN)c[nH]c12
InChIInChI=1S/C13H18N2O/c1-2-16-12-7-3-6-11-10(5-4-8-14)9-15-13(11)12/h3,6-7,9,15H,2,4-5,8,14H2,1H3
InChIKeyCUQUIZSQCBULDS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.46
Rot. Bonds5

About 3-(7-ethoxy-1H-indol-3-yl)propan-1-amine

3-(7-ethoxy-1H-indol-3-yl)propan-1-amine (PubChem CID 82374015) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(7-ethoxy-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-ethoxy-1H-indol-3-yl)propan-1-amine
PubChem CID82374015
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(7-ethoxy-1H-indol-3-yl)propan-1-amine
SMILESCCOc1cccc2c(CCCN)c[nH]c12
InChIInChI=1S/C13H18N2O/c1-2-16-12-7-3-6-11-10(5-4-8-14)9-15-13(11)12/h3,6-7,9,15H,2,4-5,8,14H2,1H3
InChIKeyCUQUIZSQCBULDS-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

5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
CID 96598611
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405
3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
CID 83948710
7-ethoxy-1H-indol-3-ol
CID 137437163
3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 5135495
16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol
CID 11429148
3-butyl-7-fluoro-1H-indole
CID 106985261
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
(7-ethoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine
CID 84663288
3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine
CID 3925639
2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
CID 139809913

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethoxy-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(7-ethoxy-1H-indol-3-yl)propan-1-amine (CID 82374015) is 3-(7-ethoxy-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(7-ethoxy-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(7-ethoxy-1H-indol-3-yl)propan-1-amine is CCOc1cccc2c(CCCN)c[nH]c12.
What is the InChIKey of 3-(7-ethoxy-1H-indol-3-yl)propan-1-amine?
The InChIKey is CUQUIZSQCBULDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-16-12-7-3-6-11-10(5-4-8-14)9-15-13(11)12/h3,6-7,9,15H,2,4-5,8,14H2,1H3.
What are the key properties of 3-(7-ethoxy-1H-indol-3-yl)propan-1-amine?
3-(7-ethoxy-1H-indol-3-yl)propan-1-amine 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 3-(7-ethoxy-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 82374015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).