N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine

C24H21FN2O — CID 3162220

IUPACN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESFc1ccc(COc2ccc3ccccc3c2CNCc2ccccn2)cc1
InChIInChI=1S/C24H21FN2O/c25-20-11-8-18(9-12-20)17-28-24-13-10-19-5-1-2-7-22(19)23(24)16-26-15-21-6-3-4-14-27-21/h1-14,26H,15-17H2
InChIKeyJDORPLIQXBPAAD-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.24
Rot. Bonds7

About N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 3162220) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID3162220
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESFc1ccc(COc2ccc3ccccc3c2CNCc2ccccn2)cc1
InChIInChI=1S/C24H21FN2O/c25-20-11-8-18(9-12-20)17-28-24-13-10-19-5-1-2-7-22(19)23(24)16-26-15-21-6-3-4-14-27-21/h1-14,26H,15-17H2
InChIKeyJDORPLIQXBPAAD-UHFFFAOYSA-N
XLogP5.24
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 ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine (CID 3162220) is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine is Fc1ccc(COc2ccc3ccccc3c2CNCc2ccccn2)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is JDORPLIQXBPAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c25-20-11-8-18(9-12-20)17-28-24-13-10-19-5-1-2-7-22(19)23(24)16-26-15-21-6-3-4-14-27-21/h1-14,26H,15-17H2.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine?
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 372.44 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 3162220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).