2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine

C13H21NO3 — CID 15102790

IUPAC2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine
SMILESCCCOc1c(OC)cc(CCN)cc1OC
InChIInChI=1S/C13H21NO3/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3/h8-9H,4-7,14H2,1-3H3
InChIKeyHYWLMSUAZVDUFW-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.99
Rot. Bonds7

About 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine

2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine (PubChem CID 15102790) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine
PubChem CID15102790
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine
SMILESCCCOc1c(OC)cc(CCN)cc1OC
InChIInChI=1S/C13H21NO3/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3/h8-9H,4-7,14H2,1-3H3
InChIKeyHYWLMSUAZVDUFW-UHFFFAOYSA-N
XLogP1.99
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine (CID 15102790) is 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine is CCCOc1c(OC)cc(CCN)cc1OC.
What is the InChIKey of 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine?
The InChIKey is HYWLMSUAZVDUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine?
2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine has a molecular weight of 239.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxy-4-propoxyphenyl)ethanamine is sourced from PubChem (CID 15102790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).