2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide

C13H19BrN2O2 — CID 115875961

IUPAC2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1ccc(C)c(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-10-3-4-11(7-12(10)14)8-15-9-13(17)16-5-6-18-2/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyZEMZZNDAILKTNF-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.61
Rot. Bonds7

About 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 115875961) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID115875961
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1ccc(C)c(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-10-3-4-11(7-12(10)14)8-15-9-13(17)16-5-6-18-2/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyZEMZZNDAILKTNF-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide 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-[(3-bromo-4-chlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112555040
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 105401683
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112695615
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263896
methyl 2-fluoro-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]benzoate
CID 106700421
3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686545
2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112685455
2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115651742
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812
N-[(3-bromo-4-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 103880524

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide (CID 115875961) is 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCc1ccc(C)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ZEMZZNDAILKTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-10-3-4-11(7-12(10)14)8-15-9-13(17)16-5-6-18-2/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 315.21 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115875961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).