N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine

C21H23FN2O2 — CID 11845453

IUPACN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2
InChIInChI=1S/C21H23FN2O2/c1-25-20-5-2-6-21-18(20)11-16(13-26-21)23-9-3-4-14-12-24-19-8-7-15(22)10-17(14)19/h2,5-8,10,12,16,23-24H,3-4,9,11,13H2,1H3
InChIKeyICGOJGSVVSAUBL-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.84
Rot. Bonds6

About N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine

N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 11845453) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID11845453
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2
InChIInChI=1S/C21H23FN2O2/c1-25-20-5-2-6-21-18(20)11-16(13-26-21)23-9-3-4-14-12-24-19-8-7-15(22)10-17(14)19/h2,5-8,10,12,16,23-24H,3-4,9,11,13H2,1H3
InChIKeyICGOJGSVVSAUBL-UHFFFAOYSA-N
XLogP3.84
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 11845453) is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1CC(NCCCc1c[nH]c3ccc(F)cc13)CO2.
What is the InChIKey of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is ICGOJGSVVSAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-25-20-5-2-6-21-18(20)11-16(13-26-21)23-9-3-4-14-12-24-19-8-7-15(22)10-17(14)19/h2,5-8,10,12,16,23-24H,3-4,9,11,13H2,1H3.
What are the key properties of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 354.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 11845453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).