3-(4-ethoxy-1H-indol-3-yl)propan-1-amine

C13H18N2O — CID 83917405

IUPAC3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
SMILESCCOc1cccc2[nH]cc(CCCN)c12
InChIInChI=1S/C13H18N2O/c1-2-16-12-7-3-6-11-13(12)10(9-15-11)5-4-8-14/h3,6-7,9,15H,2,4-5,8,14H2,1H3
InChIKeyPHUJBZHBUJRMPB-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.46
Rot. Bonds5

About 3-(4-ethoxy-1H-indol-3-yl)propan-1-amine

3-(4-ethoxy-1H-indol-3-yl)propan-1-amine (PubChem CID 83917405) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(4-ethoxy-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
PubChem CID83917405
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
SMILESCCOc1cccc2[nH]cc(CCCN)c12
InChIInChI=1S/C13H18N2O/c1-2-16-12-7-3-6-11-13(12)10(9-15-11)5-4-8-14/h3,6-7,9,15H,2,4-5,8,14H2,1H3
InChIKeyPHUJBZHBUJRMPB-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

Analyze 3-(4-ethoxy-1H-indol-3-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-3-ethyl-1H-indole
CID 171816854
3-(7-ethoxy-1H-indol-3-yl)propan-1-amine
CID 82374015
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
CID 83948710
3-(3-aminopropyl)-1H-indole-4-carbonitrile
CID 57214331
[(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
CID 171079991
3-(2-ethylselanylethyl)-4-methoxy-1H-indole
CID 167475252
2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
CID 136586906
3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
4-(4-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 83163271
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(4-ethoxy-1H-indol-3-yl)propan-1-amine (CID 83917405) is 3-(4-ethoxy-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4-ethoxy-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(4-ethoxy-1H-indol-3-yl)propan-1-amine is CCOc1cccc2[nH]cc(CCCN)c12.
What is the InChIKey of 3-(4-ethoxy-1H-indol-3-yl)propan-1-amine?
The InChIKey is PHUJBZHBUJRMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-16-12-7-3-6-11-13(12)10(9-15-11)5-4-8-14/h3,6-7,9,15H,2,4-5,8,14H2,1H3.
What are the key properties of 3-(4-ethoxy-1H-indol-3-yl)propan-1-amine?
3-(4-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-(4-ethoxy-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83917405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).