2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium

C14H23ClNO3+ — CID 2280876

IUPAC2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
SMILESCOCCC[NH2+]CCOCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO3/c1-17-9-2-7-16-8-10-18-11-12-19-14-5-3-13(15)4-6-14/h3-6,16H,2,7-12H2,1H3/p+1
InChIKeyXNHYJKKDZPOXLM-UHFFFAOYSA-O
MW288.79 g/mol
LogP1.34
Rot. Bonds11

About 2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium

2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium (PubChem CID 2280876) has the molecular formula C14H23ClNO3+ and a molecular weight of 288.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
PubChem CID2280876
Molecular FormulaC14H23ClNO3+
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC Name2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
SMILESCOCCC[NH2+]CCOCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO3/c1-17-9-2-7-16-8-10-18-11-12-19-14-5-3-13(15)4-6-14/h3-6,16H,2,7-12H2,1H3/p+1
InChIKeyXNHYJKKDZPOXLM-UHFFFAOYSA-O
XLogP1.34
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 51.34
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-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium
CID 2300114
3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium
CID 7470336
2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280477
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
2-[2-(2-tert-butylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280492
3-(4-chloro-2-methylphenoxy)propyl-(3-methoxypropyl)azanium
CID 7460478
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2297274
2-(2-bromo-4-chlorophenoxy)ethyl-(3-methoxypropyl)azanium
CID 2300001
3-methoxypropyl-[4-(4-phenylmethoxyphenoxy)butyl]azanium
CID 7381462
2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium
CID 7381522
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 60683339
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium (CID 2280876) is 2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium is COCCC[NH2+]CCOCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium?
The InChIKey is XNHYJKKDZPOXLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22ClNO3/c1-17-9-2-7-16-8-10-18-11-12-19-14-5-3-13(15)4-6-14/h3-6,16H,2,7-12H2,1H3/p+1.
What are the key properties of 2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium?
2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium has a molecular weight of 288.79 g/mol, XLogP of 1.34, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium is sourced from PubChem (CID 2280876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).