(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium

C18H22FN2O+ — CID 9045473

IUPAC(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2ccccc2F)c(C)c1
InChIInChI=1S/C18H21FN2O/c1-13-8-9-15(14(2)10-13)11-21(3)12-18(22)20-17-7-5-4-6-16(17)19/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1
InChIKeyHTBIELMWMURSMS-UHFFFAOYSA-O
MW301.38 g/mol
LogP2.10
Rot. Bonds5

About (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium

(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9045473) has the molecular formula C18H22FN2O+ and a molecular weight of 301.38 g/mol. Its IUPAC name is (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID9045473
Molecular FormulaC18H22FN2O+
Molecular Weight301.38 g/mol
Exact Mass301.17
IUPAC Name(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2ccccc2F)c(C)c1
InChIInChI=1S/C18H21FN2O/c1-13-8-9-15(14(2)10-13)11-21(3)12-18(22)20-17-7-5-4-6-16(17)19/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1
InChIKeyHTBIELMWMURSMS-UHFFFAOYSA-O
XLogP2.10
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045612
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045226
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9025268
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9166307
(2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 8695667
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045973
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045154
[2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054520
[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9465682

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium (CID 9045473) is (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium is Cc1ccc(C[NH+](C)CC(=O)Nc2ccccc2F)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is HTBIELMWMURSMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21FN2O/c1-13-8-9-15(14(2)10-13)11-21(3)12-18(22)20-17-7-5-4-6-16(17)19/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1.
What are the key properties of (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium?
(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 301.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9045473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).