2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

C15H23N3O2 — CID 79303945

IUPAC2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCN(CC1CCCN1C)C(=O)COc1cccc(N)c1
InChIInChI=1S/C15H23N3O2/c1-17-8-4-6-13(17)10-18(2)15(19)11-20-14-7-3-5-12(16)9-14/h3,5,7,9,13H,4,6,8,10-11,16H2,1-2H3
InChIKeyWICXQVJCFCTBMH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.20
Rot. Bonds5

About 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 79303945) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
PubChem CID79303945
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCN(CC1CCCN1C)C(=O)COc1cccc(N)c1
InChIInChI=1S/C15H23N3O2/c1-17-8-4-6-13(17)10-18(2)15(19)11-20-14-7-3-5-12(16)9-14/h3,5,7,9,13H,4,6,8,10-11,16H2,1-2H3
InChIKeyWICXQVJCFCTBMH-UHFFFAOYSA-N
XLogP1.20
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
CID 79304456
2-(3-aminophenoxy)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 62886053
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 61103114
2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61104642
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
4-amino-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303281
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
CID 79304453
2-(2-hydroxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 80741271
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 61090043
2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123166
3-methoxy-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055686

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (CID 79303945) is 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is CN(CC1CCCN1C)C(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is WICXQVJCFCTBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-8-4-6-13(17)10-18(2)15(19)11-20-14-7-3-5-12(16)9-14/h3,5,7,9,13H,4,6,8,10-11,16H2,1-2H3.
What are the key properties of 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 79303945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).