2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride

C19H24ClNO4 — CID 110177067

IUPAC2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride
SMILESCOc1cccc(C(=O)CC[NH2+]CCOc2ccccc2OC)c1.[Cl-]
InChIInChI=1S/C19H23NO4.ClH/c1-22-16-7-5-6-15(14-16)17(21)10-11-20-12-13-24-19-9-4-3-8-18(19)23-2;/h3-9,14,20H,10-13H2,1-2H3;1H
InChIKeyNAOINMNTIVVVEO-UHFFFAOYSA-N
MW365.86 g/mol
LogP-1.08
Rot. Bonds10

About 2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride

2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride (PubChem CID 110177067) has the molecular formula C19H24ClNO4 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride
PubChem CID110177067
Molecular FormulaC19H24ClNO4
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride
SMILESCOc1cccc(C(=O)CC[NH2+]CCOc2ccccc2OC)c1.[Cl-]
InChIInChI=1S/C19H23NO4.ClH/c1-22-16-7-5-6-15(14-16)17(21)10-11-20-12-13-24-19-9-4-3-8-18(19)23-2;/h3-9,14,20H,10-13H2,1-2H3;1H
InChIKeyNAOINMNTIVVVEO-UHFFFAOYSA-N
XLogP-1.08
TPSA61.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methoxyphenoxy)ethylamino]-1-(3-methoxyphenyl)propan-1-one
CID 110177068
2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
CID 39109652
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
CID 2262875
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
CID 60623809
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
[2-hydroxy-4-[4-(2-methoxyphenoxy)butoxy]-3-methylphenyl]-(3-methoxyphenyl)methanone
CID 176768272
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
3-[2-(2-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 22683307

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride?
The IUPAC name of 2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride (CID 110177067) is 2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride.
What is the SMILES notation for 2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride?
The canonical SMILES for 2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride is COc1cccc(C(=O)CC[NH2+]CCOc2ccccc2OC)c1.[Cl-].
What is the InChIKey of 2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride?
The InChIKey is NAOINMNTIVVVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4.ClH/c1-22-16-7-5-6-15(14-16)17(21)10-11-20-12-13-24-19-9-4-3-8-18(19)23-2;/h3-9,14,20H,10-13H2,1-2H3;1H.
What are the key properties of 2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride?
2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride has a molecular weight of 365.86 g/mol, XLogP of -1.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride is sourced from PubChem (CID 110177067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).