4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide

C11H15BrN2O2 — CID 22929731

IUPAC4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide
SMILESCCOc1cc(CN)c(Br)cc1C(=O)NC
InChIInChI=1S/C11H15BrN2O2/c1-3-16-10-4-7(6-13)9(12)5-8(10)11(15)14-2/h4-5H,3,6,13H2,1-2H3,(H,14,15)
InChIKeyKNVXUOJZOLFEJY-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.67
Rot. Bonds4

About 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide

4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide (PubChem CID 22929731) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide
PubChem CID22929731
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide
SMILESCCOc1cc(CN)c(Br)cc1C(=O)NC
InChIInChI=1S/C11H15BrN2O2/c1-3-16-10-4-7(6-13)9(12)5-8(10)11(15)14-2/h4-5H,3,6,13H2,1-2H3,(H,14,15)
InChIKeyKNVXUOJZOLFEJY-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide 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

4-(azidomethyl)-5-bromo-2-ethoxy-N-methylbenzamide
CID 22929709
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119626386
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
1-bromo-4-ethoxy-2,5-diethylbenzene
CID 146408869
(2S)-2-[(4-amino-5-bromo-2-ethoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416074
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120828755
ethyl 4-acetamido-5-bromo-2-ethoxybenzoate
CID 162515859
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828754
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
2-amino-5-bromo-4-methoxy-N-methylbenzamide
CID 167259236
ethyl 2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetate
CID 45371599

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide (CID 22929731) is 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide is CCOc1cc(CN)c(Br)cc1C(=O)NC.
What is the InChIKey of 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide?
The InChIKey is KNVXUOJZOLFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-16-10-4-7(6-13)9(12)5-8(10)11(15)14-2/h4-5H,3,6,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide?
4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide has a molecular weight of 287.16 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide is sourced from PubChem (CID 22929731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).