2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine

C13H19NO3 — CID 44719469

IUPAC2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1c(OC)cc(CCN)cc1OC
InChIInChI=1S/C13H19NO3/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3/h4,8-9H,1,5-7,14H2,2-3H3
InChIKeyJNUAYHHGCXYBHX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds7

About 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine

2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine (PubChem CID 44719469) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine
PubChem CID44719469
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1c(OC)cc(CCN)cc1OC
InChIInChI=1S/C13H19NO3/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3/h4,8-9H,1,5-7,14H2,2-3H3
InChIKeyJNUAYHHGCXYBHX-UHFFFAOYSA-N
XLogP1.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine (CID 44719469) is 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine is C=CCOc1c(OC)cc(CCN)cc1OC.
What is the InChIKey of 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine?
The InChIKey is JNUAYHHGCXYBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3/h4,8-9H,1,5-7,14H2,2-3H3.
What are the key properties of 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine?
2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine has a molecular weight of 237.30 g/mol, XLogP of 1.77, 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-prop-2-enoxyphenyl)ethanamine is sourced from PubChem (CID 44719469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).