(3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone

C16H24N2O3 — CID 103538537

IUPAC(3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone
SMILESCCNc1cc(C)ccc1C(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C16H24N2O3/c1-5-17-13-8-11(2)6-7-12(13)16(19)18-9-14(20-3)15(10-18)21-4/h6-8,14-15,17H,5,9-10H2,1-4H3
InChIKeyQYBDLZBKRTTYGI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.91
Rot. Bonds5

About (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone

(3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone (PubChem CID 103538537) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone
PubChem CID103538537
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone
SMILESCCNc1cc(C)ccc1C(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C16H24N2O3/c1-5-17-13-8-11(2)6-7-12(13)16(19)18-9-14(20-3)15(10-18)21-4/h6-8,14-15,17H,5,9-10H2,1-4H3
InChIKeyQYBDLZBKRTTYGI-UHFFFAOYSA-N
XLogP1.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(ethylamino)-4-methylphenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540317
[2-(ethylamino)-4-methylphenyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964719
[2-(ethylamino)-4-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936110
[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538392
(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103579414
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 103535673
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936167
(5-amino-2-methylphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530114
[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 62510513
[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031
[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228727

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone?
The IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone (CID 103538537) is (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone.
What is the SMILES notation for (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone?
The canonical SMILES for (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone is CCNc1cc(C)ccc1C(=O)N1CC(OC)C(OC)C1.
What is the InChIKey of (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone?
The InChIKey is QYBDLZBKRTTYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-17-13-8-11(2)6-7-12(13)16(19)18-9-14(20-3)15(10-18)21-4/h6-8,14-15,17H,5,9-10H2,1-4H3.
What are the key properties of (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone?
(3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone has a molecular weight of 292.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone is sourced from PubChem (CID 103538537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).