3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium

C15H26NO3+ — CID 7470336

IUPAC3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium
SMILESCOCCC[NH2+]CCOCCOc1cccc(C)c1
InChIInChI=1S/C15H25NO3/c1-14-5-3-6-15(13-14)19-12-11-18-10-8-16-7-4-9-17-2/h3,5-6,13,16H,4,7-12H2,1-2H3/p+1
InChIKeyJGUCDFFQUGBBDT-UHFFFAOYSA-O
MW268.38 g/mol
LogP0.99
Rot. Bonds11

About 3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium

3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium (PubChem CID 7470336) has the molecular formula C15H26NO3+ and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium.

Molecular Properties

Compound Name3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium
PubChem CID7470336
Molecular FormulaC15H26NO3+
Molecular Weight268.38 g/mol
Exact Mass268.19
IUPAC Name3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium
SMILESCOCCC[NH2+]CCOCCOc1cccc(C)c1
InChIInChI=1S/C15H25NO3/c1-14-5-3-6-15(13-14)19-12-11-18-10-8-16-7-4-9-17-2/h3,5-6,13,16H,4,7-12H2,1-2H3/p+1
InChIKeyJGUCDFFQUGBBDT-UHFFFAOYSA-O
XLogP0.99
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280876
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684
2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280477
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium
CID 2280743
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2297274
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium?
The IUPAC name of 3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium (CID 7470336) is 3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium.
What is the SMILES notation for 3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium?
The canonical SMILES for 3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium is COCCC[NH2+]CCOCCOc1cccc(C)c1.
What is the InChIKey of 3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium?
The InChIKey is JGUCDFFQUGBBDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25NO3/c1-14-5-3-6-15(13-14)19-12-11-18-10-8-16-7-4-9-17-2/h3,5-6,13,16H,4,7-12H2,1-2H3/p+1.
What are the key properties of 3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium?
3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium has a molecular weight of 268.38 g/mol, XLogP of 0.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium is sourced from PubChem (CID 7470336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).