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

C22H23FNO+ — CID 8635362

IUPAC[2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2F)cc1
InChIInChI=1S/C22H22FNO/c1-17-10-12-18(13-11-17)14-24-15-19-6-3-5-9-22(19)25-16-20-7-2-4-8-21(20)23/h2-13,24H,14-16H2,1H3/p+1
InChIKeyXYMOHAWDLKLSFJ-UHFFFAOYSA-O
MW336.43 g/mol
LogP3.98
Rot. Bonds7

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

[2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium (PubChem CID 8635362) has the molecular formula C22H23FNO+ and a molecular weight of 336.43 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
PubChem CID8635362
Molecular FormulaC22H23FNO+
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC Name[2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2F)cc1
InChIInChI=1S/C22H22FNO/c1-17-10-12-18(13-11-17)14-24-15-19-6-3-5-9-22(19)25-16-20-7-2-4-8-21(20)23/h2-13,24H,14-16H2,1H3/p+1
InChIKeyXYMOHAWDLKLSFJ-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

Analyze [2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635366
(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium
CID 8623256
[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635433
4-[[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate
CID 27137830
4-[[[2-[(4-fluorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate
CID 27137650
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332479
(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium
CID 7452788
1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326290
1,3-benzodioxol-5-ylmethyl-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium chloride
CID 44664744
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium?
The IUPAC name of [2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium (CID 8635362) is [2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for [2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for [2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium is Cc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2F)cc1.
What is the InChIKey of [2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium?
The InChIKey is XYMOHAWDLKLSFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22FNO/c1-17-10-12-18(13-11-17)14-24-15-19-6-3-5-9-22(19)25-16-20-7-2-4-8-21(20)23/h2-13,24H,14-16H2,1H3/p+1.
What are the key properties of [2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium?
[2-[(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 [2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 8635362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).