dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium

C15H20NOS+ — CID 20294

IUPACdimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
SMILESC[N+](C)(CCOc1ccccc1)Cc1cccs1
InChIInChI=1S/C15H20NOS/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3/q+1
InChIKeyKYCIUIVANPKXLW-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.40
Rot. Bonds6

About dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium

dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium (PubChem CID 20294) has the molecular formula C15H20NOS+ and a molecular weight of 262.40 g/mol. Its IUPAC name is dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Namedimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
PubChem CID20294
Molecular FormulaC15H20NOS+
Molecular Weight262.40 g/mol
Exact Mass262.13
IUPAC Namedimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium
SMILESC[N+](C)(CCOc1ccccc1)Cc1cccs1
InChIInChI=1S/C15H20NOS/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3/q+1
InChIKeyKYCIUIVANPKXLW-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510929
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 67510971
N-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511212
N-ethyl-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511310
2-(4-methylphenoxy)-N-propyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511470
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511677
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512098
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
Dimethyl(2-phenoxyethyl)-2-thenylammonium iodide
CID 57372628
2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014389
2-(4-methylphenoxy)-N-(2-methylpropyl)-N-(thiophen-2-ylmethyl)acetamide
CID 137640617

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium?
The IUPAC name of dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium (CID 20294) is dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium is C[N+](C)(CCOc1ccccc1)Cc1cccs1.
What is the InChIKey of dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium?
The InChIKey is KYCIUIVANPKXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NOS/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3/q+1.
What are the key properties of dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium?
dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium has a molecular weight of 262.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 20294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).