2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone

C14H20N2O3 — CID 103530140

IUPAC2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
SMILESCOC1CN(C(=O)Cc2ccc(N)cc2)CC1OC
InChIInChI=1S/C14H20N2O3/c1-18-12-8-16(9-13(12)19-2)14(17)7-10-3-5-11(15)6-4-10/h3-6,12-13H,7-9,15H2,1-2H3
InChIKeyRYCZQHQOKIJIMF-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.68
Rot. Bonds4

About 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone

2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone (PubChem CID 103530140) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
PubChem CID103530140
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
SMILESCOC1CN(C(=O)Cc2ccc(N)cc2)CC1OC
InChIInChI=1S/C14H20N2O3/c1-18-12-8-16(9-13(12)19-2)14(17)7-10-3-5-11(15)6-4-10/h3-6,12-13H,7-9,15H2,1-2H3
InChIKeyRYCZQHQOKIJIMF-UHFFFAOYSA-N
XLogP0.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone 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-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102954923
2-[1-[2-(4-aminophenyl)acetyl]azetidin-3-yl]propanoic acid
CID 116682357
2-(4-aminophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64568201
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
1-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-2-(4-aminophenyl)ethanone;hydrochloride
CID 119803623
2-(4-aminophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 122080587
2-(4-aminophenyl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 119694098
2-(4-aminophenyl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 119694097
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
4-[3-(3,4-dimethoxypyrrolidin-1-yl)propyl]aniline
CID 103533938
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 119899571

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone (CID 103530140) is 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone is COC1CN(C(=O)Cc2ccc(N)cc2)CC1OC.
What is the InChIKey of 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone?
The InChIKey is RYCZQHQOKIJIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-8-16(9-13(12)19-2)14(17)7-10-3-5-11(15)6-4-10/h3-6,12-13H,7-9,15H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone?
2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 103530140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).