3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride

C20H28ClNO2 — CID 110184914

IUPAC3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
SMILESCOc1ccc(CCC[NH2+]CCCc2cccc(OC)c2)cc1.[Cl-]
InChIInChI=1S/C20H27NO2.ClH/c1-22-19-12-10-17(11-13-19)7-4-14-21-15-5-8-18-6-3-9-20(16-18)23-2;/h3,6,9-13,16,21H,4-5,7-8,14-15H2,1-2H3;1H
InChIKeyIHNYKLCIGBDUNF-UHFFFAOYSA-N
MW349.90 g/mol
LogP-0.16
Rot. Bonds10

About 3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride

3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride (PubChem CID 110184914) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride.

Molecular Properties

Compound Name3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
PubChem CID110184914
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
SMILESCOc1ccc(CCC[NH2+]CCCc2cccc(OC)c2)cc1.[Cl-]
InChIInChI=1S/C20H27NO2.ClH/c1-22-19-12-10-17(11-13-19)7-4-14-21-15-5-8-18-6-3-9-20(16-18)23-2;/h3,6,9-13,16,21H,4-5,7-8,14-15H2,1-2H3;1H
InChIKeyIHNYKLCIGBDUNF-UHFFFAOYSA-N
XLogP-0.16
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-3-nonadecylbenzene
CID 154507578
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871054
1-methoxy-3-[2-methoxy-4-[2-(3-methoxyphenyl)ethyl]phenoxy]-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871177
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-methoxy-3-propylbenzene
CID 14270128
4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium
CID 2184628
1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
CID 110185121
2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine
CID 139215011

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride?
The IUPAC name of 3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride (CID 110184914) is 3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride.
What is the SMILES notation for 3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride?
The canonical SMILES for 3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride is COc1ccc(CCC[NH2+]CCCc2cccc(OC)c2)cc1.[Cl-].
What is the InChIKey of 3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride?
The InChIKey is IHNYKLCIGBDUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2.ClH/c1-22-19-12-10-17(11-13-19)7-4-14-21-15-5-8-18-6-3-9-20(16-18)23-2;/h3,6,9-13,16,21H,4-5,7-8,14-15H2,1-2H3;1H.
What are the key properties of 3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride?
3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride has a molecular weight of 349.90 g/mol, XLogP of -0.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride is sourced from PubChem (CID 110184914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).