2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide

C13H19BrN2O — CID 115556585

IUPAC2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(C)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-15-13(17)10(3)16-8-11-6-5-9(2)7-12(11)14/h5-7,10,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyYJUFYTCXYVMGSM-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.37
Rot. Bonds5

About 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide

2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide (PubChem CID 115556585) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide
PubChem CID115556585
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(C)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-15-13(17)10(3)16-8-11-6-5-9(2)7-12(11)14/h5-7,10,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyYJUFYTCXYVMGSM-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990
2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide
CID 81495089
(2R)-2-[(2-bromo-4-methylphenyl)methylamino]-4-methylpentanoic acid
CID 120511341
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
CID 43399003
(2S)-2-[(2-bromo-4-methylphenyl)methylamino]-3-methylbutan-1-ol
CID 115556816
2-[(2-bromo-4-methylphenyl)methylamino]propane-1,3-diol
CID 75525246
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-[(2-bromo-4-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 115556733
2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
CID 81495277
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 43400116
2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
CID 43430625

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide (CID 115556585) is 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1ccc(C)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide?
The InChIKey is YJUFYTCXYVMGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-15-13(17)10(3)16-8-11-6-5-9(2)7-12(11)14/h5-7,10,16H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide?
2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide has a molecular weight of 299.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 115556585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).