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

C22H24F2N2O2 — CID 10362715

IUPACN-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
SMILESFc1cc2c(c(OCCNCCCc3c[nH]c4ccc(F)cc34)c1)OCCC2
InChIInChI=1S/C22H24F2N2O2/c23-17-5-6-20-19(12-17)16(14-26-20)3-1-7-25-8-10-27-21-13-18(24)11-15-4-2-9-28-22(15)21/h5-6,11-14,25-26H,1-4,7-10H2
InChIKeyREHCIQBRDJQQIG-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.37
Rot. Bonds8

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

N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine (PubChem CID 10362715) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
PubChem CID10362715
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC NameN-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
SMILESFc1cc2c(c(OCCNCCCc3c[nH]c4ccc(F)cc34)c1)OCCC2
InChIInChI=1S/C22H24F2N2O2/c23-17-5-6-20-19(12-17)16(14-26-20)3-1-7-25-8-10-27-21-13-18(24)11-15-4-2-9-28-22(15)21/h5-6,11-14,25-26H,1-4,7-10H2
InChIKeyREHCIQBRDJQQIG-UHFFFAOYSA-N
XLogP4.37
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.37
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]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine (CID 10362715) is N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine is Fc1cc2c(c(OCCNCCCc3c[nH]c4ccc(F)cc34)c1)OCCC2.
What is the InChIKey of N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The InChIKey is REHCIQBRDJQQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-17-5-6-20-19(12-17)16(14-26-20)3-1-7-25-8-10-27-21-13-18(24)11-15-4-2-9-28-22(15)21/h5-6,11-14,25-26H,1-4,7-10H2.
What are the key properties of N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine?
N-[2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine has a molecular weight of 386.44 g/mol, XLogP of 4.37, 8 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]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 10362715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).