3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine

C9H15NO2S — CID 103228609

IUPAC3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine
SMILESCOCC(CN)OCc1cccs1
InChIInChI=1S/C9H15NO2S/c1-11-6-8(5-10)12-7-9-3-2-4-13-9/h2-4,8H,5-7,10H2,1H3
InChIKeyAVHRCFPKKRUCAB-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.24
Rot. Bonds6

About 3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine

3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine (PubChem CID 103228609) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine
PubChem CID103228609
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine
SMILESCOCC(CN)OCc1cccs1
InChIInChI=1S/C9H15NO2S/c1-11-6-8(5-10)12-7-9-3-2-4-13-9/h2-4,8H,5-7,10H2,1H3
InChIKeyAVHRCFPKKRUCAB-UHFFFAOYSA-N
XLogP1.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine?
The IUPAC name of 3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine (CID 103228609) is 3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine is COCC(CN)OCc1cccs1.
What is the InChIKey of 3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine?
The InChIKey is AVHRCFPKKRUCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-11-6-8(5-10)12-7-9-3-2-4-13-9/h2-4,8H,5-7,10H2,1H3.
What are the key properties of 3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine?
3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine has a molecular weight of 201.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 103228609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).