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

C21H20ClFNO+ — CID 7097563

IUPAC(2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium
SMILESO[C@@](C[NH2+]Cc1ccccc1Cl)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19ClFNO/c22-20-9-5-4-6-16(20)14-24-15-21(25,17-7-2-1-3-8-17)18-10-12-19(23)13-11-18/h1-13,24-25H,14-15H2/p+1/t21-/m0/s1
InChIKeyUJPJABBOBGIZLT-NRFANRHFSA-O
MW356.85 g/mol
LogP3.48
Rot. Bonds6

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

(2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium (PubChem CID 7097563) has the molecular formula C21H20ClFNO+ and a molecular weight of 356.85 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium
PubChem CID7097563
Molecular FormulaC21H20ClFNO+
Molecular Weight356.85 g/mol
Exact Mass356.12
IUPAC Name(2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium
SMILESO[C@@](C[NH2+]Cc1ccccc1Cl)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19ClFNO/c22-20-9-5-4-6-16(20)14-24-15-21(25,17-7-2-1-3-8-17)18-10-12-19(23)13-11-18/h1-13,24-25H,14-15H2/p+1/t21-/m0/s1
InChIKeyUJPJABBOBGIZLT-NRFANRHFSA-O
XLogP3.48
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium
CID 7036971
(3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium
CID 7091495
2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
CID 2768826
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
CID 3844999
(2-chlorophenyl)methyl-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]azanium
CID 2382038
(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
CID 7018888
(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 1470738
[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 105223616
2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol
CID 3724836
(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium
CID 7018885
(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
CID 7826978
(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 7827742

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium (CID 7097563) is (2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium is O[C@@](C[NH2+]Cc1ccccc1Cl)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium?
The InChIKey is UJPJABBOBGIZLT-NRFANRHFSA-O. The full InChI is InChI=1S/C21H19ClFNO/c22-20-9-5-4-6-16(20)14-24-15-21(25,17-7-2-1-3-8-17)18-10-12-19(23)13-11-18/h1-13,24-25H,14-15H2/p+1/t21-/m0/s1.
What are the key properties of (2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium?
(2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium has a molecular weight of 356.85 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium is sourced from PubChem (CID 7097563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).