2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline

C17H19FN2O — CID 63591839

IUPAC2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCc3ccccc32)c(N)cc1F
InChIInChI=1S/C17H19FN2O/c1-11(2)21-17-10-16(14(19)9-13(17)18)20-8-7-12-5-3-4-6-15(12)20/h3-6,9-11H,7-8,19H2,1-2H3
InChIKeyOJNOPRXONDEWNE-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.89
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline

2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline (PubChem CID 63591839) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline
PubChem CID63591839
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCc3ccccc32)c(N)cc1F
InChIInChI=1S/C17H19FN2O/c1-11(2)21-17-10-16(14(19)9-13(17)18)20-8-7-12-5-3-4-6-15(12)20/h3-6,9-11H,7-8,19H2,1-2H3
InChIKeyOJNOPRXONDEWNE-UHFFFAOYSA-N
XLogP3.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline
CID 55216866
1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110758239
1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol
CID 43506012
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 115558909
1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol
CID 103355179
2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
CID 113325091
2-(2-ethylazepan-1-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 104688790
4-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)piperazin-2-one
CID 63592727
1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol
CID 114677679
4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine
CID 28809875
5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline
CID 106585784
5-fluoro-4-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)aniline
CID 103590451

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline (CID 63591839) is 2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline is CC(C)Oc1cc(N2CCc3ccccc32)c(N)cc1F.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline?
The InChIKey is OJNOPRXONDEWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11(2)21-17-10-16(14(19)9-13(17)18)20-8-7-12-5-3-4-6-15(12)20/h3-6,9-11H,7-8,19H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline?
2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline has a molecular weight of 286.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline is sourced from PubChem (CID 63591839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).