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

C21H23FN2O2 — CID 11394095

IUPACN-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine
SMILESFc1cc2c(c(OCCNCCc3c[nH]c4ccccc34)c1)OCCC2
InChIInChI=1S/C21H23FN2O2/c22-17-12-15-4-3-10-26-21(15)20(13-17)25-11-9-23-8-7-16-14-24-19-6-2-1-5-18(16)19/h1-2,5-6,12-14,23-24H,3-4,7-11H2
InChIKeyISBIUGFQLVFPNK-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.84
Rot. Bonds7

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

N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 11394095) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine
PubChem CID11394095
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine
SMILESFc1cc2c(c(OCCNCCc3c[nH]c4ccccc34)c1)OCCC2
InChIInChI=1S/C21H23FN2O2/c22-17-12-15-4-3-10-26-21(15)20(13-17)25-11-9-23-8-7-16-14-24-19-6-2-1-5-18(16)19/h1-2,5-6,12-14,23-24H,3-4,7-11H2
InChIKeyISBIUGFQLVFPNK-UHFFFAOYSA-N
XLogP3.84
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.84
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-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine (CID 11394095) is N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(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-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine is Fc1cc2c(c(OCCNCCc3c[nH]c4ccccc34)c1)OCCC2.
What is the InChIKey of N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is ISBIUGFQLVFPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-17-12-15-4-3-10-26-21(15)20(13-17)25-11-9-23-8-7-16-14-24-19-6-2-1-5-18(16)19/h1-2,5-6,12-14,23-24H,3-4,7-11H2.
What are the key properties of N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine?
N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-2-(1H-indol-3-yl)ethanamine has a molecular weight of 354.43 g/mol, XLogP of 3.84, 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-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 11394095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).