2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

C18H22FN2O2+ — CID 8729750

IUPAC2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CCOc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-14-7-9-15(10-8-14)20-18(22)13-21(2)11-12-23-17-6-4-3-5-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1
InChIKeyGFWWTIHOLQVFDD-UHFFFAOYSA-O
MW317.38 g/mol
LogP1.67
Rot. Bonds7

About 2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium

2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 8729750) has the molecular formula C18H22FN2O2+ and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
PubChem CID8729750
Molecular FormulaC18H22FN2O2+
Molecular Weight317.38 g/mol
Exact Mass317.17
IUPAC Name2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CCOc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-14-7-9-15(10-8-14)20-18(22)13-21(2)11-12-23-17-6-4-3-5-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1
InChIKeyGFWWTIHOLQVFDD-UHFFFAOYSA-O
XLogP1.67
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(2-methylphenoxy)ethyl]azanium
CID 8588078
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium
CID 9222181
2-(2-fluorophenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9166330
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729153
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928
methyl-[2-(4-methylphenoxy)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104878
methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
[2-(4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797849

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of 2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 8729750) is 2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CCOc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The InChIKey is GFWWTIHOLQVFDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21FN2O2/c1-14-7-9-15(10-8-14)20-18(22)13-21(2)11-12-23-17-6-4-3-5-16(17)19/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1.
What are the key properties of 2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 317.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8729750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).