N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine

C22H20FN3O — CID 10157687

IUPACN-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine
SMILESFc1cccc(-c2cncc(CNCCOc3cccc4cc[nH]c34)c2)c1
InChIInChI=1S/C22H20FN3O/c23-20-5-1-4-18(12-20)19-11-16(14-25-15-19)13-24-9-10-27-21-6-2-3-17-7-8-26-22(17)21/h1-8,11-12,14-15,24,26H,9-10,13H2
InChIKeyBLFIHMHLPGNVOO-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.54
Rot. Bonds7

About N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine

N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine (PubChem CID 10157687) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine
PubChem CID10157687
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC NameN-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine
SMILESFc1cccc(-c2cncc(CNCCOc3cccc4cc[nH]c34)c2)c1
InChIInChI=1S/C22H20FN3O/c23-20-5-1-4-18(12-20)19-11-16(14-25-15-19)13-24-9-10-27-21-6-2-3-17-7-8-26-22(17)21/h1-8,11-12,14-15,24,26H,9-10,13H2
InChIKeyBLFIHMHLPGNVOO-UHFFFAOYSA-N
XLogP4.54
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.54
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-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine (CID 10157687) is N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine is Fc1cccc(-c2cncc(CNCCOc3cccc4cc[nH]c34)c2)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine?
The InChIKey is BLFIHMHLPGNVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-20-5-1-4-18(12-20)19-11-16(14-25-15-19)13-24-9-10-27-21-6-2-3-17-7-8-26-22(17)21/h1-8,11-12,14-15,24,26H,9-10,13H2.
What are the key properties of N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine?
N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine has a molecular weight of 361.42 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine is sourced from PubChem (CID 10157687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).