N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine

C24H21FN2O — CID 19079499

IUPACN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine
SMILESFc1ccc(-c2cncc(CNCCOc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C24H21FN2O/c25-22-10-8-19(9-11-22)21-14-18(16-27-17-21)15-26-12-13-28-24-7-3-5-20-4-1-2-6-23(20)24/h1-11,14,16-17,26H,12-13,15H2
InChIKeyGSJYVKALYAWDSW-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.21
Rot. Bonds7

About N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine

N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine (PubChem CID 19079499) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine
PubChem CID19079499
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC NameN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine
SMILESFc1ccc(-c2cncc(CNCCOc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C24H21FN2O/c25-22-10-8-19(9-11-22)21-14-18(16-27-17-21)15-26-12-13-28-24-7-3-5-20-4-1-2-6-23(20)24/h1-11,14,16-17,26H,12-13,15H2
InChIKeyGSJYVKALYAWDSW-UHFFFAOYSA-N
XLogP5.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
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)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine (CID 19079499) is N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine is Fc1ccc(-c2cncc(CNCCOc3cccc4ccccc34)c2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine?
The InChIKey is GSJYVKALYAWDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c25-22-10-8-19(9-11-22)21-14-18(16-27-17-21)15-26-12-13-28-24-7-3-5-20-4-1-2-6-23(20)24/h1-11,14,16-17,26H,12-13,15H2.
What are the key properties of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine?
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine has a molecular weight of 372.44 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine is sourced from PubChem (CID 19079499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).