(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

C19H22F3N2O3+ — CID 8641842

IUPAC(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O3/c1-13-4-9-17(26-3)14(10-13)11-24(2)12-18(25)23-15-5-7-16(8-6-15)27-19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25)/p+1
InChIKeyYPBRMJIQOHDPJC-UHFFFAOYSA-O
MW383.39 g/mol
LogP2.56
Rot. Bonds7

About (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (PubChem CID 8641842) has the molecular formula C19H22F3N2O3+ and a molecular weight of 383.39 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
PubChem CID8641842
Molecular FormulaC19H22F3N2O3+
Molecular Weight383.39 g/mol
Exact Mass383.16
IUPAC Name(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O3/c1-13-4-9-17(26-3)14(10-13)11-24(2)12-18(25)23-15-5-7-16(8-6-15)27-19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25)/p+1
InChIKeyYPBRMJIQOHDPJC-UHFFFAOYSA-O
XLogP2.56
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805336
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641843
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805430
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 2512023
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8805412
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9102772
(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366572
[2-(methoxycarbonylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366371
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium
CID 8805826
(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9103940
2-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (CID 8641842) is (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is COc1ccc(C)cc1C[NH+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The InChIKey is YPBRMJIQOHDPJC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21F3N2O3/c1-13-4-9-17(26-3)14(10-13)11-24(2)12-18(25)23-15-5-7-16(8-6-15)27-19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25)/p+1.
What are the key properties of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium has a molecular weight of 383.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is sourced from PubChem (CID 8641842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).