2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone

C16H16N2O2 — CID 62205697

IUPAC2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone
SMILESNc1ccc(OCC(=O)N2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H16N2O2/c17-14-5-7-15(8-6-14)20-11-16(19)18-9-12-3-1-2-4-13(12)10-18/h1-8H,9-11,17H2
InChIKeyFUOTUWJPNPMQPS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.19
Rot. Bonds3

About 2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone

2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone (PubChem CID 62205697) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone
PubChem CID62205697
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone
SMILESNc1ccc(OCC(=O)N2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H16N2O2/c17-14-5-7-15(8-6-14)20-11-16(19)18-9-12-3-1-2-4-13(12)10-18/h1-8H,9-11,17H2
InChIKeyFUOTUWJPNPMQPS-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204619
2-[2-(aminomethyl)phenoxy]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204457
2-(4-aminophenoxy)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 61114349
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-hydroxypropan-2-yl)phenoxy]ethanone
CID 110006176
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8597978
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846862
2-(4-aminophenoxy)-1-(1,4-thiazepan-4-yl)ethanone
CID 61418710
2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63157389
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]aniline
CID 55050236
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone (CID 62205697) is 2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone is Nc1ccc(OCC(=O)N2Cc3ccccc3C2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone?
The InChIKey is FUOTUWJPNPMQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-14-5-7-15(8-6-14)20-11-16(19)18-9-12-3-1-2-4-13(12)10-18/h1-8H,9-11,17H2.
What are the key properties of 2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone?
2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone has a molecular weight of 268.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone is sourced from PubChem (CID 62205697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).