[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium

C22H23FNO2+ — CID 7036971

IUPAC[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]C[C@](O)(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FNO2/c1-26-21-13-7-17(8-14-21)15-24-16-22(25,18-5-3-2-4-6-18)19-9-11-20(23)12-10-19/h2-14,24-25H,15-16H2,1H3/p+1/t22-/m0/s1
InChIKeyVQCOJXZDTNIMJW-QFIPXVFZSA-O
MW352.43 g/mol
LogP2.83
Rot. Bonds7

About [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium

[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium (PubChem CID 7036971) has the molecular formula C22H23FNO2+ and a molecular weight of 352.43 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium
PubChem CID7036971
Molecular FormulaC22H23FNO2+
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]C[C@](O)(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FNO2/c1-26-21-13-7-17(8-14-21)15-24-16-22(25,18-5-3-2-4-6-18)19-9-11-20(23)12-10-19/h2-14,24-25H,15-16H2,1H3/p+1/t22-/m0/s1
InChIKeyVQCOJXZDTNIMJW-QFIPXVFZSA-O
XLogP2.83
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)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-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium
CID 7097563
(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
CID 1470711
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium
CID 7714694
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-(4-methoxyanilino)-1,1-diphenylethanol
CID 101160453
2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
CID 11864321
(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol
CID 7036964
2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol
CID 2767182
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
1-(2-fluoro-4-methoxyphenyl)-1-phenylpropan-1-ol
CID 103394960
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium (CID 7036971) is [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium is COc1ccc(C[NH2+]C[C@](O)(c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is VQCOJXZDTNIMJW-QFIPXVFZSA-O. The full InChI is InChI=1S/C22H22FNO2/c1-26-21-13-7-17(8-14-21)15-24-16-22(25,18-5-3-2-4-6-18)19-9-11-20(23)12-10-19/h2-14,24-25H,15-16H2,1H3/p+1/t22-/m0/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium?
[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 352.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 7036971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).