butyl-methyl-(2-phenoxyethyl)azanium

C13H22NO+ — CID 2297101

IUPACbutyl-methyl-(2-phenoxyethyl)azanium
SMILESCCCC[NH+](C)CCOc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-4-10-14(2)11-12-15-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3/p+1
InChIKeyAUWSIGNDPRZMOX-UHFFFAOYSA-O
MW208.33 g/mol
LogP1.38
Rot. Bonds7

About butyl-methyl-(2-phenoxyethyl)azanium

butyl-methyl-(2-phenoxyethyl)azanium (PubChem CID 2297101) has the molecular formula C13H22NO+ and a molecular weight of 208.33 g/mol. Its IUPAC name is butyl-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Namebutyl-methyl-(2-phenoxyethyl)azanium
PubChem CID2297101
Molecular FormulaC13H22NO+
Molecular Weight208.33 g/mol
Exact Mass208.17
IUPAC Namebutyl-methyl-(2-phenoxyethyl)azanium
SMILESCCCC[NH+](C)CCOc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-4-10-14(2)11-12-15-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3/p+1
InChIKeyAUWSIGNDPRZMOX-UHFFFAOYSA-O
XLogP1.38
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 22762214
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CID 175008384

Frequently Asked Questions

What is the IUPAC name of butyl-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of butyl-methyl-(2-phenoxyethyl)azanium (CID 2297101) is butyl-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for butyl-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for butyl-methyl-(2-phenoxyethyl)azanium is CCCC[NH+](C)CCOc1ccccc1.
What is the InChIKey of butyl-methyl-(2-phenoxyethyl)azanium?
The InChIKey is AUWSIGNDPRZMOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21NO/c1-3-4-10-14(2)11-12-15-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3/p+1.
What are the key properties of butyl-methyl-(2-phenoxyethyl)azanium?
butyl-methyl-(2-phenoxyethyl)azanium has a molecular weight of 208.33 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 2297101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).