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

C15H22N2O2 — CID 55168284

IUPAC(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(CNC)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-19-14-6-4-13(5-7-14)15(18)17-9-8-12(11-17)10-16-2/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeySKQDBXMZEJRHLV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds5

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

(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 55168284) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID55168284
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(CNC)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-19-14-6-4-13(5-7-14)15(18)17-9-8-12(11-17)10-16-2/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeySKQDBXMZEJRHLV-UHFFFAOYSA-N
XLogP1.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(3-methylbutoxy)phenyl]methanone
CID 119540673
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124592579
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
[4-(2-methoxyethoxy)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396826
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119541577
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
[3-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119398196

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 55168284) is (4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC(CNC)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SKQDBXMZEJRHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-14-6-4-13(5-7-14)15(18)17-9-8-12(11-17)10-16-2/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55168284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).