3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine

Name: 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₁NO₂S — CID 117237766

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

IUPAC3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine

SMILESCOc1ccccc1OCC(CN)C1CCSC1

InChIInChI=1S/C14H21NO2S/c1-16-13-4-2-3-5-14(13)17-9-12(8-15)11-6-7-18-10-11/h2-5,11-12H,6-10,15H2,1H3

InChIKeyGVBHLTKTJAOSHT-UHFFFAOYSA-N

MW267.39 g/mol

LogP2.40

Rot. Bonds6

About 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine

3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine (PubChem CID 117237766) has the molecular formula C₁₄H₂₁NO₂S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name	3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
PubChem CID	117237766
Molecular Formula	C₁₄H₂₁NO₂S
Molecular Weight	267.39 g/mol
Exact Mass	267.13
IUPAC Name	3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
SMILES	COc1ccccc1OCC(CN)C1CCSC1
InChI	InChI=1S/C14H21NO2S/c1-16-13-4-2-3-5-14(13)17-9-12(8-15)11-6-7-18-10-11/h2-5,11-12H,6-10,15H2,1H3
InChIKey	GVBHLTKTJAOSHT-UHFFFAOYSA-N
XLogP	2.40
TPSA	44.48 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.39
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine?

The IUPAC name of 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine (CID 117237766) is 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine.

What is the SMILES notation for 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine?

The canonical SMILES for 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine is COc1ccccc1OCC(CN)C1CCSC1.

What is the InChIKey of 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine?

The InChIKey is GVBHLTKTJAOSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-13-4-2-3-5-14(13)17-9-12(8-15)11-6-7-18-10-11/h2-5,11-12H,6-10,15H2,1H3.

What are the key properties of 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine?

3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 117237766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 117237766 — identifiers, structure, computed properties (public domain)

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