N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine

C21H22F2N2O2 — CID 10090661

IUPACN-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
SMILESFc1cc2c(c(OCCNCCc3c[nH]c4ccc(F)cc34)c1)OCCC2
InChIInChI=1S/C21H22F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)5-6-24-7-9-26-20-12-17(23)10-14-2-1-8-27-21(14)20/h3-4,10-13,24-25H,1-2,5-9H2
InChIKeyDUTGEQMBAUMVEL-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.98
Rot. Bonds7

About N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine

N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine (PubChem CID 10090661) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
PubChem CID10090661
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC NameN-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
SMILESFc1cc2c(c(OCCNCCc3c[nH]c4ccc(F)cc34)c1)OCCC2
InChIInChI=1S/C21H22F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)5-6-24-7-9-26-20-12-17(23)10-14-2-1-8-27-21(14)20/h3-4,10-13,24-25H,1-2,5-9H2
InChIKeyDUTGEQMBAUMVEL-UHFFFAOYSA-N
XLogP3.98
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine?
The IUPAC name of N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine (CID 10090661) is N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine is Fc1cc2c(c(OCCNCCc3c[nH]c4ccc(F)cc34)c1)OCCC2.
What is the InChIKey of N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine?
The InChIKey is DUTGEQMBAUMVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)5-6-24-7-9-26-20-12-17(23)10-14-2-1-8-27-21(14)20/h3-4,10-13,24-25H,1-2,5-9H2.
What are the key properties of N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine?
N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine has a molecular weight of 372.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 10090661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).