methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate

C15H21FN2O2 — CID 83066676

IUPACmethyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(NCCN(C)C)CCc2c(F)cccc21
InChIInChI=1S/C15H21FN2O2/c1-18(2)10-9-17-15(14(19)20-3)8-7-11-12(15)5-4-6-13(11)16/h4-6,17H,7-10H2,1-3H3
InChIKeyAHPFCHCKCNADCM-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.29
Rot. Bonds5

About methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate

methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate (PubChem CID 83066676) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate
PubChem CID83066676
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Namemethyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(NCCN(C)C)CCc2c(F)cccc21
InChIInChI=1S/C15H21FN2O2/c1-18(2)10-9-17-15(14(19)20-3)8-7-11-12(15)5-4-6-13(11)16/h4-6,17H,7-10H2,1-3H3
InChIKeyAHPFCHCKCNADCM-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate (CID 83066676) is methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate is COC(=O)C1(NCCN(C)C)CCc2c(F)cccc21.
What is the InChIKey of methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate?
The InChIKey is AHPFCHCKCNADCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(2)10-9-17-15(14(19)20-3)8-7-11-12(15)5-4-6-13(11)16/h4-6,17H,7-10H2,1-3H3.
What are the key properties of methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate?
methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate has a molecular weight of 280.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(dimethylamino)ethylamino]-4-fluoro-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 83066676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).