[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium

C19H24FN2O2+ — CID 9222181

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](C)CCOc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-14-7-6-8-15(2)19(14)21-18(23)13-22(3)11-12-24-17-10-5-4-9-16(17)20/h4-10H,11-13H2,1-3H3,(H,21,23)/p+1
InChIKeyVOMFGVDFNKRYKT-UHFFFAOYSA-O
MW331.41 g/mol
LogP1.97
Rot. Bonds7

About [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium

[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium (PubChem CID 9222181) has the molecular formula C19H24FN2O2+ and a molecular weight of 331.41 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium
PubChem CID9222181
Molecular FormulaC19H24FN2O2+
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](C)CCOc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-14-7-6-8-15(2)19(14)21-18(23)13-22(3)11-12-24-17-10-5-4-9-16(17)20/h4-10H,11-13H2,1-3H3,(H,21,23)/p+1
InChIKeyVOMFGVDFNKRYKT-UHFFFAOYSA-O
XLogP1.97
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729750
2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9166330
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium
CID 8588078
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 9221931
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-[(R)-(2-methylphenyl)-phenylmethoxy]ethyl]azanium
CID 7311091
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842165
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 9222015

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium (CID 9222181) is [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium is Cc1cccc(C)c1NC(=O)C[NH+](C)CCOc1ccccc1F.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium?
The InChIKey is VOMFGVDFNKRYKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23FN2O2/c1-14-7-6-8-15(2)19(14)21-18(23)13-22(3)11-12-24-17-10-5-4-9-16(17)20/h4-10H,11-13H2,1-3H3,(H,21,23)/p+1.
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium?
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium has a molecular weight of 331.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium is sourced from PubChem (CID 9222181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).