1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine

Name: 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₅NO₃ — CID 103987375

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine

SMILESCCNC(CC1CCOC1)c1cc(OC)ccc1OC

InChIInChI=1S/C16H25NO3/c1-4-17-15(9-12-7-8-20-11-12)14-10-13(18-2)5-6-16(14)19-3/h5-6,10,12,15,17H,4,7-9,11H2,1-3H3

InChIKeyWYTCKHARMRRWLP-UHFFFAOYSA-N

MW279.38 g/mol

LogP2.78

Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine

1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine (PubChem CID 103987375) has the molecular formula C₁₆H₂₅NO₃ and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name	1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
PubChem CID	103987375
Molecular Formula	C₁₆H₂₅NO₃
Molecular Weight	279.38 g/mol
Exact Mass	279.18
IUPAC Name	1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
SMILES	CCNC(CC1CCOC1)c1cc(OC)ccc1OC
InChI	InChI=1S/C16H25NO3/c1-4-17-15(9-12-7-8-20-11-12)14-10-13(18-2)5-6-16(14)19-3/h5-6,10,12,15,17H,4,7-9,11H2,1-3H3
InChIKey	WYTCKHARMRRWLP-UHFFFAOYSA-N
XLogP	2.78
TPSA	39.72 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.38
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?

The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine (CID 103987375) is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine.

What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?

The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine is CCNC(CC1CCOC1)c1cc(OC)ccc1OC.

What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?

The InChIKey is WYTCKHARMRRWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-17-15(9-12-7-8-20-11-12)14-10-13(18-2)5-6-16(14)19-3/h5-6,10,12,15,17H,4,7-9,11H2,1-3H3.

What are the key properties of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?

1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 103987375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 103987375 — identifiers, structure, computed properties (public domain)

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