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

C15H22N2O2 — CID 119651084

IUPAC(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCCC2CNC)c1
InChIInChI=1S/C15H22N2O2/c1-3-19-14-8-4-6-12(10-14)15(18)17-9-5-7-13(17)11-16-2/h4,6,8,10,13,16H,3,5,7,9,11H2,1-2H3
InChIKeyIHQTVDMGFKBRRQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds5

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

(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119651084) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119651084
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCCC2CNC)c1
InChIInChI=1S/C15H22N2O2/c1-3-19-14-8-4-6-12(10-14)15(18)17-9-5-7-13(17)11-16-2/h4,6,8,10,13,16H,3,5,7,9,11H2,1-2H3
InChIKeyIHQTVDMGFKBRRQ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
[3-[(3-fluorophenoxy)methyl]phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650326
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 119649641
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
(4-butoxy-3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650400
(3-ethoxy-4-propoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650979
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
(4-butoxy-3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650399
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 81484224
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119651084) is (3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CCOc1cccc(C(=O)N2CCCC2CNC)c1.
What is the InChIKey of (3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IHQTVDMGFKBRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-14-8-4-6-12(10-14)15(18)17-9-5-7-13(17)11-16-2/h4,6,8,10,13,16H,3,5,7,9,11H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119651084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).