methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate

C14H19NO2 — CID 58973642

IUPACmethyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate
SMILESC=CCc1ccc(N(C)C)c(CC(=O)OC)c1
InChIInChI=1S/C14H19NO2/c1-5-6-11-7-8-13(15(2)3)12(9-11)10-14(16)17-4/h5,7-9H,1,6,10H2,2-4H3
InChIKeyJSRXSIOKYUMGSN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.20
Rot. Bonds5

About methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate

methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate (PubChem CID 58973642) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate
PubChem CID58973642
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate
SMILESC=CCc1ccc(N(C)C)c(CC(=O)OC)c1
InChIInChI=1S/C14H19NO2/c1-5-6-11-7-8-13(15(2)3)12(9-11)10-14(16)17-4/h5,7-9H,1,6,10H2,2-4H3
InChIKeyJSRXSIOKYUMGSN-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate?
The IUPAC name of methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate (CID 58973642) is methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate?
The canonical SMILES for methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate is C=CCc1ccc(N(C)C)c(CC(=O)OC)c1.
What is the InChIKey of methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate?
The InChIKey is JSRXSIOKYUMGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-6-11-7-8-13(15(2)3)12(9-11)10-14(16)17-4/h5,7-9H,1,6,10H2,2-4H3.
What are the key properties of methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate?
methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate has a molecular weight of 233.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)-5-prop-2-enylphenyl]acetate is sourced from PubChem (CID 58973642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).