(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone

C13H18N2O2 — CID 62068283

IUPAC(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(N)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-2-17-12-5-3-10(4-6-12)13(16)15-8-7-11(14)9-15/h3-6,11H,2,7-9,14H2,1H3
InChIKeyCVODUCFJSZEEGA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.26
Rot. Bonds3

About (3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone

(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone (PubChem CID 62068283) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
PubChem CID62068283
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(N)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-2-17-12-5-3-10(4-6-12)13(16)15-8-7-11(14)9-15/h3-6,11H,2,7-9,14H2,1H3
InChIKeyCVODUCFJSZEEGA-UHFFFAOYSA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
(4-ethoxyphenyl) 3-aminopyrrolidine-1-carboxylate
CID 116819452
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 114960591
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
CID 119412089
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
[(3R)-3-aminopyrrolidin-1-yl]-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methanone;hydrochloride
CID 119413073
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178518

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone (CID 62068283) is (3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCC(N)C2)cc1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone?
The InChIKey is CVODUCFJSZEEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-12-5-3-10(4-6-12)13(16)15-8-7-11(14)9-15/h3-6,11H,2,7-9,14H2,1H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone?
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 62068283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).