1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride

C20H25ClFNO3 — CID 44657642

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride
SMILESCOc1ccc(C(O)C(C[NH+]2CCOCC2)c2ccccc2)cc1F.[Cl-]
InChIInChI=1S/C20H24FNO3.ClH/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22;/h2-8,13,17,20,23H,9-12,14H2,1H3;1H
InChIKeyVJLCRYXVRYNFKK-UHFFFAOYSA-N
MW381.88 g/mol
LogP-1.43
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride

1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride (PubChem CID 44657642) has the molecular formula C20H25ClFNO3 and a molecular weight of 381.88 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride
PubChem CID44657642
Molecular FormulaC20H25ClFNO3
Molecular Weight381.88 g/mol
Exact Mass381.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride
SMILESCOc1ccc(C(O)C(C[NH+]2CCOCC2)c2ccccc2)cc1F.[Cl-]
InChIInChI=1S/C20H24FNO3.ClH/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22;/h2-8,13,17,20,23H,9-12,14H2,1H3;1H
InChIKeyVJLCRYXVRYNFKK-UHFFFAOYSA-N
XLogP-1.43
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one chloride
CID 44667894
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 3066416
3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 3326778
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185510
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886
[1-(3-fluoro-4-methoxyphenyl)-1-hydroxypropan-2-yl]-(3-oxo-3-phenylpropyl)azanium chloride
CID 110177176
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 2330413
1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
CID 61082848
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
2-ethyl-1-(3-fluoro-4-methoxyphenyl)butane-1,2-diol
CID 103449386
4-[(2R)-2-phenylpropyl]morpholin-4-ium
CID 6938323

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride (CID 44657642) is 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride is COc1ccc(C(O)C(C[NH+]2CCOCC2)c2ccccc2)cc1F.[Cl-].
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride?
The InChIKey is VJLCRYXVRYNFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3.ClH/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22;/h2-8,13,17,20,23H,9-12,14H2,1H3;1H.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride?
1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride has a molecular weight of 381.88 g/mol, XLogP of -1.43, 6 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)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride is sourced from PubChem (CID 44657642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).