2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

C14H20N2O3 — CID 114796661

IUPAC2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESNc1ccccc1OCC(=O)N1CCC(CCO)C1
InChIInChI=1S/C14H20N2O3/c15-12-3-1-2-4-13(12)19-10-14(18)16-7-5-11(9-16)6-8-17/h1-4,11,17H,5-10,15H2
InChIKeyJRMFZTSFGQEGOQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.88
Rot. Bonds5

About 2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 114796661) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID114796661
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESNc1ccccc1OCC(=O)N1CCC(CCO)C1
InChIInChI=1S/C14H20N2O3/c15-12-3-1-2-4-13(12)19-10-14(18)16-7-5-11(9-16)6-8-17/h1-4,11,17H,5-10,15H2
InChIKeyJRMFZTSFGQEGOQ-UHFFFAOYSA-N
XLogP0.88
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64570188
2-(2-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43133117
2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
2-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115746379
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808
3-(2-aminophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 114799225
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 115746401
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124611644
1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 43575397
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124611231
2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124611313

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 114796661) is 2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is Nc1ccccc1OCC(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is JRMFZTSFGQEGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-3-1-2-4-13(12)19-10-14(18)16-7-5-11(9-16)6-8-17/h1-4,11,17H,5-10,15H2.
What are the key properties of 2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 114796661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).