butyl-[2-(3-methoxyphenoxy)ethyl]azanium

C13H22NO2+ — CID 2262768

IUPACbutyl-[2-(3-methoxyphenoxy)ethyl]azanium
SMILESCCCC[NH2+]CCOc1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-3-4-8-14-9-10-16-13-7-5-6-12(11-13)15-2/h5-7,11,14H,3-4,8-10H2,1-2H3/p+1
InChIKeyABRFCAWRJBUZBF-UHFFFAOYSA-O
MW224.32 g/mol
LogP1.44
Rot. Bonds8

About butyl-[2-(3-methoxyphenoxy)ethyl]azanium

butyl-[2-(3-methoxyphenoxy)ethyl]azanium (PubChem CID 2262768) has the molecular formula C13H22NO2+ and a molecular weight of 224.32 g/mol. Its IUPAC name is butyl-[2-(3-methoxyphenoxy)ethyl]azanium.

Molecular Properties

Compound Namebutyl-[2-(3-methoxyphenoxy)ethyl]azanium
PubChem CID2262768
Molecular FormulaC13H22NO2+
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Namebutyl-[2-(3-methoxyphenoxy)ethyl]azanium
SMILESCCCC[NH2+]CCOc1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-3-4-8-14-9-10-16-13-7-5-6-12(11-13)15-2/h5-7,11,14H,3-4,8-10H2,1-2H3/p+1
InChIKeyABRFCAWRJBUZBF-UHFFFAOYSA-O
XLogP1.44
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.44
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

butyl-[2-(3-ethylphenoxy)ethyl]azanium
CID 2296697
2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium
CID 7285461
4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium
CID 2184628
1-(butoxymethoxy)-3-methoxybenzene
CID 142960722
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
1,3-dihexadecoxybenzene
CID 12686834
butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium
CID 2280743
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium
CID 2582186
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1-methoxy-3-pent-4-enoxybenzene
CID 10750277

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(3-methoxyphenoxy)ethyl]azanium?
The IUPAC name of butyl-[2-(3-methoxyphenoxy)ethyl]azanium (CID 2262768) is butyl-[2-(3-methoxyphenoxy)ethyl]azanium.
What is the SMILES notation for butyl-[2-(3-methoxyphenoxy)ethyl]azanium?
The canonical SMILES for butyl-[2-(3-methoxyphenoxy)ethyl]azanium is CCCC[NH2+]CCOc1cccc(OC)c1.
What is the InChIKey of butyl-[2-(3-methoxyphenoxy)ethyl]azanium?
The InChIKey is ABRFCAWRJBUZBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21NO2/c1-3-4-8-14-9-10-16-13-7-5-6-12(11-13)15-2/h5-7,11,14H,3-4,8-10H2,1-2H3/p+1.
What are the key properties of butyl-[2-(3-methoxyphenoxy)ethyl]azanium?
butyl-[2-(3-methoxyphenoxy)ethyl]azanium has a molecular weight of 224.32 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(3-methoxyphenoxy)ethyl]azanium is sourced from PubChem (CID 2262768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).