EcoDrugPlus


Synonyms	5-OME-DMT [2-(5-Methoxy-1H-Indol-3-Yl)-Ethyl]-Dimethyl-Amine
Molecule Category	Free-form
UNII	X0MKX3GWU9
EPA CompTox	DTXSID70144324
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

5-OME-DMT

[2-(5-Methoxy-1H-Indol-3-Yl)-Ethyl]-Dimethyl-Amine

Molecule Category

Free-form

UNII

X0MKX3GWU9

EPA CompTox

DTXSID70144324

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	ZSTKHSQDNIGFLM-UHFFFAOYSA-N
Smiles	COc1ccc2[nH]cc(CCN(C)C)c2c1
InChI	InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3

InChI Key

ZSTKHSQDNIGFLM-UHFFFAOYSA-N

Smiles

COc1ccc2[nH]cc(CCN(C)C)c2c1

InChI

InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3

Property Name	Value
Molecular Formula	C13H18N2O
Molecular Weight	218.29
AlogP	2.5
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	28.26
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C13H18N2O

Molecular Weight

218.29

AlogP

2.5

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

28.26

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	1019-45-0
ChEMBL	CHEMBL7257
FDA SRS	X0MKX3GWU9
PubChem	1832
SureChEMBL	SCHEMBL132733

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

5-MEO-DMT

Structure

Physicochemical Descriptors

Cross References