(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium

C19H24BrN2O3+ — CID 9103940

IUPAC(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Br)cc1C[NH+](C)CC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C19H23BrN2O3/c1-13-5-7-18(25-4)16(9-13)21-19(23)12-22(2)11-14-10-15(20)6-8-17(14)24-3/h5-10H,11-12H2,1-4H3,(H,21,23)/p+1
InChIKeyYSQVOCCQAHOSPA-UHFFFAOYSA-O
MW408.32 g/mol
LogP2.43
Rot. Bonds7

About (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium

(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9103940) has the molecular formula C19H24BrN2O3+ and a molecular weight of 408.32 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
PubChem CID9103940
Molecular FormulaC19H24BrN2O3+
Molecular Weight408.32 g/mol
Exact Mass407.10
IUPAC Name(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Br)cc1C[NH+](C)CC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C19H23BrN2O3/c1-13-5-7-18(25-4)16(9-13)21-19(23)12-22(2)11-14-10-15(20)6-8-17(14)24-3/h5-10H,11-12H2,1-4H3,(H,21,23)/p+1
InChIKeyYSQVOCCQAHOSPA-UHFFFAOYSA-O
XLogP2.43
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805430
(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
CID 2657721
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8552071
furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9333240
(5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium
CID 8810475
[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
(5-bromo-2-methoxyphenyl)methyl-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methylazanium
CID 9039741
(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9103818
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805390

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium (CID 9103940) is (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium is COc1ccc(Br)cc1C[NH+](C)CC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is YSQVOCCQAHOSPA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23BrN2O3/c1-13-5-7-18(25-4)16(9-13)21-19(23)12-22(2)11-14-10-15(20)6-8-17(14)24-3/h5-10H,11-12H2,1-4H3,(H,21,23)/p+1.
What are the key properties of (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium?
(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 408.32 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9103940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).