[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium

C22H23FNO+ — CID 8635433

IUPAC[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)cc1
InChIInChI=1S/C22H22FNO/c1-17-9-11-18(12-10-17)14-24-15-19-5-4-7-21(13-19)25-16-20-6-2-3-8-22(20)23/h2-13,24H,14-16H2,1H3/p+1
InChIKeyWZVYBQCVYKMLGZ-UHFFFAOYSA-O
MW336.43 g/mol
LogP3.98
Rot. Bonds7

About [3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium

[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium (PubChem CID 8635433) has the molecular formula C22H23FNO+ and a molecular weight of 336.43 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
PubChem CID8635433
Molecular FormulaC22H23FNO+
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC Name[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)cc1
InChIInChI=1S/C22H22FNO/c1-17-9-11-18(12-10-17)14-24-15-19-5-4-7-21(13-19)25-16-20-6-2-3-8-22(20)23/h2-13,24H,14-16H2,1H3/p+1
InChIKeyWZVYBQCVYKMLGZ-UHFFFAOYSA-O
XLogP3.98
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 8635403
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332478
[2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635362
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635366
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine
CID 154512400
N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720695
(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium
CID 8623256
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155887
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
2-[3-[(2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 146264019
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium?
The IUPAC name of [3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium (CID 8635433) is [3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for [3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for [3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium is Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)cc1.
What is the InChIKey of [3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium?
The InChIKey is WZVYBQCVYKMLGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22FNO/c1-17-9-11-18(12-10-17)14-24-15-19-5-4-7-21(13-19)25-16-20-6-2-3-8-22(20)23/h2-13,24H,14-16H2,1H3/p+1.
What are the key properties of [3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium?
[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium has a molecular weight of 336.43 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 8635433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).