[1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride

C19H23ClFNO3 — CID 110177176

IUPAC[1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride
SMILESCOc1ccc(C(O)C(C)[NH2+]CCC(=O)c2ccccc2)cc1F.[Cl-]
InChIInChI=1S/C19H22FNO3.ClH/c1-13(19(23)15-8-9-18(24-2)16(20)12-15)21-11-10-17(22)14-6-4-3-5-7-14;/h3-9,12-13,19,21,23H,10-11H2,1-2H3;1H
InChIKeyGKTJXBRAJQHTEA-UHFFFAOYSA-N
MW367.85 g/mol
LogP-0.90
Rot. Bonds8

About [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride

[1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride (PubChem CID 110177176) has the molecular formula C19H23ClFNO3 and a molecular weight of 367.85 g/mol. Its IUPAC name is [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride.

Molecular Properties

Compound Name[1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride
PubChem CID110177176
Molecular FormulaC19H23ClFNO3
Molecular Weight367.85 g/mol
Exact Mass367.14
IUPAC Name[1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride
SMILESCOc1ccc(C(O)C(C)[NH2+]CCC(=O)c2ccccc2)cc1F.[Cl-]
InChIInChI=1S/C19H22FNO3.ClH/c1-13(19(23)15-8-9-18(24-2)16(20)12-15)21-11-10-17(22)14-6-4-3-5-7-14;/h3-9,12-13,19,21,23H,10-11H2,1-2H3;1H
InChIKeyGKTJXBRAJQHTEA-UHFFFAOYSA-N
XLogP-0.90
TPSA63.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride 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

(1-hydroxy-1-phenylpropan-2-yl)-[3-oxo-3-(3,4,5-trimethoxyphenyl)propyl]azanium chloride
CID 110174232
(1-hydroxy-1-phenylpropan-2-yl)-[3-(2-methoxy-5-methylphenyl)-3-oxopropyl]azanium chloride
CID 110177664
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-oxo-3-(3,4,5-trimethoxyphenyl)propyl]azanium chloride
CID 110179956
[3-(4-bromophenyl)-3-oxopropyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110175523
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-hydroxy-5-methoxyphenyl)-3-oxopropyl]azanium chloride
CID 110175834
[3-[3-(4-chlorobutoxy)phenyl]-3-oxopropyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110176655
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride
CID 44657642

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride?
The IUPAC name of [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride (CID 110177176) is [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride.
What is the SMILES notation for [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride?
The canonical SMILES for [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride is COc1ccc(C(O)C(C)[NH2+]CCC(=O)c2ccccc2)cc1F.[Cl-].
What is the InChIKey of [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride?
The InChIKey is GKTJXBRAJQHTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3.ClH/c1-13(19(23)15-8-9-18(24-2)16(20)12-15)21-11-10-17(22)14-6-4-3-5-7-14;/h3-9,12-13,19,21,23H,10-11H2,1-2H3;1H.
What are the key properties of [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride?
[1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride has a molecular weight of 367.85 g/mol, XLogP of -0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride is sourced from PubChem (CID 110177176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).