N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine

C22H21FN2O2 — CID 155513247

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1cccc2[nH]cc(CCNCc3ccc(-c4ccc(F)cc4)o3)c12
InChIInChI=1S/C22H21FN2O2/c1-26-21-4-2-3-19-22(21)16(13-25-19)11-12-24-14-18-9-10-20(27-18)15-5-7-17(23)8-6-15/h2-10,13,24-25H,11-12,14H2,1H3
InChIKeyZHDWWMHCYAMTEL-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.91
Rot. Bonds7

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine (PubChem CID 155513247) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine
PubChem CID155513247
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1cccc2[nH]cc(CCNCc3ccc(-c4ccc(F)cc4)o3)c12
InChIInChI=1S/C22H21FN2O2/c1-26-21-4-2-3-19-22(21)16(13-25-19)11-12-24-14-18-9-10-20(27-18)15-5-7-17(23)8-6-15/h2-10,13,24-25H,11-12,14H2,1H3
InChIKeyZHDWWMHCYAMTEL-UHFFFAOYSA-N
XLogP4.91
TPSA50.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.91
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-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine (CID 155513247) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine is COc1cccc2[nH]cc(CCNCc3ccc(-c4ccc(F)cc4)o3)c12.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine?
The InChIKey is ZHDWWMHCYAMTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-26-21-4-2-3-19-22(21)16(13-25-19)11-12-24-14-18-9-10-20(27-18)15-5-7-17(23)8-6-15/h2-10,13,24-25H,11-12,14H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine has a molecular weight of 364.42 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(4-methoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 155513247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).