2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide

C13H20BrN3O — CID 43375159

IUPAC2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide
SMILESCCNCc1ccc(Br)cc1N(C)CC(=O)NC
InChIInChI=1S/C13H20BrN3O/c1-4-16-8-10-5-6-11(14)7-12(10)17(3)9-13(18)15-2/h5-7,16H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyYUKALULIFBNMNT-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.74
Rot. Bonds6

About 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide

2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide (PubChem CID 43375159) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide
PubChem CID43375159
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide
SMILESCCNCc1ccc(Br)cc1N(C)CC(=O)NC
InChIInChI=1S/C13H20BrN3O/c1-4-16-8-10-5-6-11(14)7-12(10)17(3)9-13(18)15-2/h5-7,16H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyYUKALULIFBNMNT-UHFFFAOYSA-N
XLogP1.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide 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-bromo-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 43375083
5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 63551348
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
CID 54980661
(E)-3-[5-bromo-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]phenyl]prop-2-enoic acid
CID 114061884
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842
2-[5-bromo-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375136
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
CID 63682139
3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
CID 106916760
2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol
CID 61424896
2-(5-bromo-2-formyl-N-propylanilino)-N-methylacetamide
CID 54984775

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide (CID 43375159) is 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide is CCNCc1ccc(Br)cc1N(C)CC(=O)NC.
What is the InChIKey of 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide?
The InChIKey is YUKALULIFBNMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-4-16-8-10-5-6-11(14)7-12(10)17(3)9-13(18)15-2/h5-7,16H,4,8-9H2,1-3H3,(H,15,18).
What are the key properties of 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide?
2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide has a molecular weight of 314.23 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide is sourced from PubChem (CID 43375159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).