[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride

C24H22ClFN2O — CID 44665886

IUPAC[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride
SMILESFc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccnc2)cc1.[Cl-]
InChIInChI=1S/C24H21FN2O.ClH/c25-21-10-7-18(8-11-21)17-28-24-12-9-20-5-1-2-6-22(20)23(24)16-27-15-19-4-3-13-26-14-19;/h1-14,27H,15-17H2;1H
InChIKeyNMESEXPWQUOMNT-UHFFFAOYSA-N
MW408.90 g/mol
LogP1.22
Rot. Bonds7

About [2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride

[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride (PubChem CID 44665886) has the molecular formula C24H22ClFN2O and a molecular weight of 408.90 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride
PubChem CID44665886
Molecular FormulaC24H22ClFN2O
Molecular Weight408.90 g/mol
Exact Mass408.14
IUPAC Name[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride
SMILESFc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccnc2)cc1.[Cl-]
InChIInChI=1S/C24H21FN2O.ClH/c25-21-10-7-18(8-11-21)17-28-24-12-9-20-5-1-2-6-22(20)23(24)16-27-15-19-4-3-13-26-14-19;/h1-14,27H,15-17H2;1H
InChIKeyNMESEXPWQUOMNT-UHFFFAOYSA-N
XLogP1.22
TPSA38.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-2-ylmethyl)azanium chloride
CID 44663912
4-[[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]methyl]benzoate
CID 27185359
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391
1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene
CID 171486262
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl carbamate
CID 175568006
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine
CID 834197
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline
CID 126119075
bis(pyridin-3-ylmethyl)azanium
CID 6946562

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride?
The IUPAC name of [2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride (CID 44665886) is [2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride.
What is the SMILES notation for [2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride?
The canonical SMILES for [2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride is Fc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2cccnc2)cc1.[Cl-].
What is the InChIKey of [2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride?
The InChIKey is NMESEXPWQUOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O.ClH/c25-21-10-7-18(8-11-21)17-28-24-12-9-20-5-1-2-6-22(20)23(24)16-27-15-19-4-3-13-26-14-19;/h1-14,27H,15-17H2;1H.
What are the key properties of [2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride?
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride has a molecular weight of 408.90 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride is sourced from PubChem (CID 44665886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).