methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate

C15H20FNO2 — CID 116532392

IUPACmethyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate
SMILESCCCNC1(CC(=O)OC)CCc2cc(F)ccc21
InChIInChI=1S/C15H20FNO2/c1-3-8-17-15(10-14(18)19-2)7-6-11-9-12(16)4-5-13(11)15/h4-5,9,17H,3,6-8,10H2,1-2H3
InChIKeyJRUWHDFZTKSXCO-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.53
Rot. Bonds5

About methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate

methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate (PubChem CID 116532392) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate
PubChem CID116532392
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate
SMILESCCCNC1(CC(=O)OC)CCc2cc(F)ccc21
InChIInChI=1S/C15H20FNO2/c1-3-8-17-15(10-14(18)19-2)7-6-11-9-12(16)4-5-13(11)15/h4-5,9,17H,3,6-8,10H2,1-2H3
InChIKeyJRUWHDFZTKSXCO-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
tert-butyl-[[(1R)-1-(carboxymethyl)-5-fluoro-2,3-dihydroinden-1-yl]amino]-oxidosulfanium
CID 175239283
1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 116531279
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine
CID 116531552
ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate
CID 116532301
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
CID 116531255
1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
CID 116531183
ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate
CID 65235737
methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate
CID 61070965
methyl 2-[1-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoylmethyl]cyclopropyl]acetate
CID 95788631
methyl 2-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 105480341

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate?
The IUPAC name of methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate (CID 116532392) is methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate?
The canonical SMILES for methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate is CCCNC1(CC(=O)OC)CCc2cc(F)ccc21.
What is the InChIKey of methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate?
The InChIKey is JRUWHDFZTKSXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-8-17-15(10-14(18)19-2)7-6-11-9-12(16)4-5-13(11)15/h4-5,9,17H,3,6-8,10H2,1-2H3.
What are the key properties of methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate?
methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate has a molecular weight of 265.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate is sourced from PubChem (CID 116532392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).