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

C15H24BrN2O2+ — CID 8810475

IUPAC(5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium
SMILESCCCCNC(=O)C[NH+](C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H23BrN2O2/c1-4-5-8-17-15(19)11-18(2)10-12-9-13(16)6-7-14(12)20-3/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,17,19)/p+1
InChIKeyAJOVSTATZOKDHB-UHFFFAOYSA-O
MW344.27 g/mol
LogP1.39
Rot. Bonds8

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

(5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium (PubChem CID 8810475) has the molecular formula C15H24BrN2O2+ and a molecular weight of 344.27 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium
PubChem CID8810475
Molecular FormulaC15H24BrN2O2+
Molecular Weight344.27 g/mol
Exact Mass343.10
IUPAC Name(5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium
SMILESCCCCNC(=O)C[NH+](C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H23BrN2O2/c1-4-5-8-17-15(19)11-18(2)10-12-9-13(16)6-7-14(12)20-3/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,17,19)/p+1
InChIKeyAJOVSTATZOKDHB-UHFFFAOYSA-O
XLogP1.39
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-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

(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9103818
(5-bromo-2-methoxyphenyl)methyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9103940
(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
CID 2657721
(5-bromo-2-methoxyphenyl)methyl-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methylazanium
CID 9039741
1-[(5-bromo-2-methoxyphenyl)methyl]-3-butyl-2-methylguanidine;hydroiodide
CID 111150893
5-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 119234651
2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506812
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium
CID 8805826
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136480
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169
(5-bromo-2-methoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 8794242
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136574

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of (5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium (CID 8810475) is (5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium is CCCCNC(=O)C[NH+](C)Cc1cc(Br)ccc1OC.
What is the InChIKey of (5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium?
The InChIKey is AJOVSTATZOKDHB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-5-8-17-15(19)11-18(2)10-12-9-13(16)6-7-14(12)20-3/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,17,19)/p+1.
What are the key properties of (5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium?
(5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium has a molecular weight of 344.27 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)methyl-[2-(butylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8810475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).