2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C17H18N2O2 — CID 61027527

IUPAC2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)COc1ccc(N)cc1
InChIInChI=1S/C17H18N2O2/c1-12-10-13-4-2-3-5-16(13)19(12)17(20)11-21-15-8-6-14(18)7-9-15/h2-9,12H,10-11,18H2,1H3
InChIKeyNYFFZRRBLRYQKK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.63
Rot. Bonds3

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

2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 61027527) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID61027527
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)COc1ccc(N)cc1
InChIInChI=1S/C17H18N2O2/c1-12-10-13-4-2-3-5-16(13)19(12)17(20)11-21-15-8-6-14(18)7-9-15/h2-9,12H,10-11,18H2,1H3
InChIKeyNYFFZRRBLRYQKK-UHFFFAOYSA-N
XLogP2.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.63
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-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273989
4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile
CID 7670955
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 23907050
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 2435156
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444567
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444569
2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7751253

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 61027527) is 2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NYFFZRRBLRYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-10-13-4-2-3-5-16(13)19(12)17(20)11-21-15-8-6-14(18)7-9-15/h2-9,12H,10-11,18H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 282.34 g/mol, XLogP of 2.63, 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-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 61027527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).