2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium

C15H25ClNO3+ — CID 2280477

IUPAC2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
SMILESCOCCC[NH2+]CCOCCOc1c(C)cccc1Cl
InChIInChI=1S/C15H24ClNO3/c1-13-5-3-6-14(16)15(13)20-12-11-19-10-8-17-7-4-9-18-2/h3,5-6,17H,4,7-12H2,1-2H3/p+1
InChIKeyGTBNCACZNSWQDG-UHFFFAOYSA-O
MW302.82 g/mol
LogP1.64
Rot. Bonds11

About 2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium

2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium (PubChem CID 2280477) has the molecular formula C15H25ClNO3+ and a molecular weight of 302.82 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium.

Molecular Properties

Compound Name2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
PubChem CID2280477
Molecular FormulaC15H25ClNO3+
Molecular Weight302.82 g/mol
Exact Mass302.15
IUPAC Name2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
SMILESCOCCC[NH2+]CCOCCOc1c(C)cccc1Cl
InChIInChI=1S/C15H24ClNO3/c1-13-5-3-6-14(16)15(13)20-12-11-19-10-8-17-7-4-9-18-2/h3,5-6,17H,4,7-12H2,1-2H3/p+1
InChIKeyGTBNCACZNSWQDG-UHFFFAOYSA-O
XLogP1.64
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 51.64
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

1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280876
3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium
CID 7470336
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2297274
1-chloro-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564283
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677
2-[2-(2-tert-butylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280492
1-(chloromethyl)-2-(4-methoxybutoxy)-3-methylbenzene
CID 104648135
N-[2-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 134464806
2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine
CID 103181898
N-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2869886

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium?
The IUPAC name of 2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium (CID 2280477) is 2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium.
What is the SMILES notation for 2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium?
The canonical SMILES for 2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium is COCCC[NH2+]CCOCCOc1c(C)cccc1Cl.
What is the InChIKey of 2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium?
The InChIKey is GTBNCACZNSWQDG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24ClNO3/c1-13-5-3-6-14(16)15(13)20-12-11-19-10-8-17-7-4-9-18-2/h3,5-6,17H,4,7-12H2,1-2H3/p+1.
What are the key properties of 2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium?
2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium has a molecular weight of 302.82 g/mol, XLogP of 1.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium is sourced from PubChem (CID 2280477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).