1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine

C17H17FN2 — CID 103504352

IUPAC1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CCC2N1CCc2ccc(F)cc21
InChIInChI=1S/C17H17FN2/c18-13-3-1-11-7-8-20(17(11)10-13)16-6-2-12-9-14(19)4-5-15(12)16/h1,3-5,9-10,16H,2,6-8,19H2
InChIKeyOAYDGTAOCLKRKQ-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.46
Rot. Bonds1

About 1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine

1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 103504352) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID103504352
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CCC2N1CCc2ccc(F)cc21
InChIInChI=1S/C17H17FN2/c18-13-3-1-11-7-8-20(17(11)10-13)16-6-2-12-9-14(19)4-5-15(12)16/h1,3-5,9-10,16H,2,6-8,19H2
InChIKeyOAYDGTAOCLKRKQ-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 82751547
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 116531428
6-fluoro-1-pyrrolidin-3-yl-2,3-dihydroindole
CID 103495858
1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79742082
1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine
CID 79741185
(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
CID 105494822
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile
CID 103495571
1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole
CID 103503437
6-fluoro-1-(2-methylpiperidin-4-yl)-2,3-dihydroindole
CID 103496394
1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741362
1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103541608

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine (CID 103504352) is 1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine is Nc1ccc2c(c1)CCC2N1CCc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is OAYDGTAOCLKRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c18-13-3-1-11-7-8-20(17(11)10-13)16-6-2-12-9-14(19)4-5-15(12)16/h1,3-5,9-10,16H,2,6-8,19H2.
What are the key properties of 1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine?
1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 268.33 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 103504352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).