butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium

C17H30NO2+ — CID 2280743

IUPACbutyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium
SMILESCCCC[NH2+]CCOCCOc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO2/c1-4-5-9-18-10-11-19-12-13-20-17-8-6-7-16(14-17)15(2)3/h6-8,14-15,18H,4-5,9-13H2,1-3H3/p+1
InChIKeyGJSNFIVZUBEBIU-UHFFFAOYSA-O
MW280.43 g/mol
LogP2.57
Rot. Bonds11

About butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium

butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium (PubChem CID 2280743) has the molecular formula C17H30NO2+ and a molecular weight of 280.43 g/mol. Its IUPAC name is butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium.

Molecular Properties

Compound Namebutyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium
PubChem CID2280743
Molecular FormulaC17H30NO2+
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Namebutyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium
SMILESCCCC[NH2+]CCOCCOc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO2/c1-4-5-9-18-10-11-19-12-13-20-17-8-6-7-16(14-17)15(2)3/h6-8,14-15,18H,4-5,9-13H2,1-3H3/p+1
InChIKeyGJSNFIVZUBEBIU-UHFFFAOYSA-O
XLogP2.57
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 52.57
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

1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262
butyl-[2-(3-methoxyphenoxy)ethyl]azanium
CID 2262768
butyl-[2-(3-ethylphenoxy)ethyl]azanium
CID 2296697
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
1-bromo-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 60627673
3-methoxypropyl-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azanium
CID 7470336
3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2280964
N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine
CID 82353979
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868

Frequently Asked Questions

What is the IUPAC name of butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium?
The IUPAC name of butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium (CID 2280743) is butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium.
What is the SMILES notation for butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium?
The canonical SMILES for butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium is CCCC[NH2+]CCOCCOc1cccc(C(C)C)c1.
What is the InChIKey of butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium?
The InChIKey is GJSNFIVZUBEBIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H29NO2/c1-4-5-9-18-10-11-19-12-13-20-17-8-6-7-16(14-17)15(2)3/h6-8,14-15,18H,4-5,9-13H2,1-3H3/p+1.
What are the key properties of butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium?
butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium has a molecular weight of 280.43 g/mol, XLogP of 2.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium is sourced from PubChem (CID 2280743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).