(4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate

C16H24N2O3 — CID 63263850

IUPAC(4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate
SMILESCCOc1ccc(OC(=O)CN2CCC(CNC)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-3-20-14-4-6-15(7-5-14)21-16(19)12-18-9-8-13(11-18)10-17-2/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeyGERVGKJAPQODQJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.53
Rot. Bonds7

About (4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate

(4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate (PubChem CID 63263850) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Name(4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate
PubChem CID63263850
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate
SMILESCCOc1ccc(OC(=O)CN2CCC(CNC)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-3-20-14-4-6-15(7-5-14)21-16(19)12-18-9-8-13(11-18)10-17-2/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeyGERVGKJAPQODQJ-UHFFFAOYSA-N
XLogP1.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate
CID 62372596
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
(4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 66291413
(4-ethoxyphenyl) 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115966761
(4-ethoxyphenyl) 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetate
CID 79410220
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119922080
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798437
2-(4-ethoxyphenyl)sulfanyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119396535
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate?
The IUPAC name of (4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate (CID 63263850) is (4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for (4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for (4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate is CCOc1ccc(OC(=O)CN2CCC(CNC)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate?
The InChIKey is GERVGKJAPQODQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-20-14-4-6-15(7-5-14)21-16(19)12-18-9-8-13(11-18)10-17-2/h4-7,13,17H,3,8-12H2,1-2H3.
What are the key properties of (4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate?
(4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate has a molecular weight of 292.38 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 63263850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).