4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium

C19H26NO2+ — CID 2184628

IUPAC4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium
SMILESCOc1cccc(OCCCC[NH2+]CCc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-21-18-10-7-11-19(16-18)22-15-6-5-13-20-14-12-17-8-3-2-4-9-17/h2-4,7-11,16,20H,5-6,12-15H2,1H3/p+1
InChIKeyUSUQOQWPCWDKIX-UHFFFAOYSA-O
MW300.42 g/mol
LogP2.66
Rot. Bonds10

About 4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium

4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium (PubChem CID 2184628) has the molecular formula C19H26NO2+ and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium
PubChem CID2184628
Molecular FormulaC19H26NO2+
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Name4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium
SMILESCOc1cccc(OCCCC[NH2+]CCc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-21-18-10-7-11-19(16-18)22-15-6-5-13-20-14-12-17-8-3-2-4-9-17/h2-4,7-11,16,20H,5-6,12-15H2,1H3/p+1
InChIKeyUSUQOQWPCWDKIX-UHFFFAOYSA-O
XLogP2.66
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.66
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-methoxyphenoxy)ethyl]azanium
CID 2262768
3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
CID 110184914
4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium
CID 2582186
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
3-methoxypropyl-[4-(4-phenylmethoxyphenoxy)butyl]azanium
CID 7381462
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
butyl-[2-(3-ethylphenoxy)ethyl]azanium
CID 2296697
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
3-(6-phenylhexoxy)phenol
CID 54079626

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium?
The IUPAC name of 4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium (CID 2184628) is 4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium.
What is the SMILES notation for 4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium?
The canonical SMILES for 4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium is COc1cccc(OCCCC[NH2+]CCc2ccccc2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium?
The InChIKey is USUQOQWPCWDKIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25NO2/c1-21-18-10-7-11-19(16-18)22-15-6-5-13-20-14-12-17-8-3-2-4-9-17/h2-4,7-11,16,20H,5-6,12-15H2,1H3/p+1.
What are the key properties of 4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium?
4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium has a molecular weight of 300.42 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium is sourced from PubChem (CID 2184628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).