6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine

C14H18FN3O — CID 116532528

IUPAC6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
SMILESCOCCN1C(N)=NCC12CCc1cc(F)ccc12
InChIInChI=1S/C14H18FN3O/c1-19-7-6-18-13(16)17-9-14(18)5-4-10-8-11(15)2-3-12(10)14/h2-3,8H,4-7,9H2,1H3,(H2,16,17)
InChIKeyCVFMEXAYMXAQNK-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.24
Rot. Bonds3

About 6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine

6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine (PubChem CID 116532528) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
PubChem CID116532528
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
SMILESCOCCN1C(N)=NCC12CCc1cc(F)ccc12
InChIInChI=1S/C14H18FN3O/c1-19-7-6-18-13(16)17-9-14(18)5-4-10-8-11(15)2-3-12(10)14/h2-3,8H,4-7,9H2,1H3,(H2,16,17)
InChIKeyCVFMEXAYMXAQNK-UHFFFAOYSA-N
XLogP1.24
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine (CID 116532528) is 6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine is COCCN1C(N)=NCC12CCc1cc(F)ccc12.
What is the InChIKey of 6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
The InChIKey is CVFMEXAYMXAQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-19-7-6-18-13(16)17-9-14(18)5-4-10-8-11(15)2-3-12(10)14/h2-3,8H,4-7,9H2,1H3,(H2,16,17).
What are the key properties of 6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine?
6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 263.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 116532528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).