2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide

C15H23BrN2O2 — CID 115962935

IUPAC2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide
SMILESCCC(N)Cc1cc(Br)cc(C)c1OC(C)C(=O)NC
InChIInChI=1S/C15H23BrN2O2/c1-5-13(17)8-11-7-12(16)6-9(2)14(11)20-10(3)15(19)18-4/h6-7,10,13H,5,8,17H2,1-4H3,(H,18,19)
InChIKeyLCWDENHWRGXYPJ-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.55
Rot. Bonds6

About 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide

2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide (PubChem CID 115962935) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide
PubChem CID115962935
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide
SMILESCCC(N)Cc1cc(Br)cc(C)c1OC(C)C(=O)NC
InChIInChI=1S/C15H23BrN2O2/c1-5-13(17)8-11-7-12(16)6-9(2)14(11)20-10(3)15(19)18-4/h6-7,10,13H,5,8,17H2,1-4H3,(H,18,19)
InChIKeyLCWDENHWRGXYPJ-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide
CID 79842993
propan-2-yl 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]acetate
CID 115962903
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide
CID 115962991
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
CID 112615730
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylpropanamide
CID 115962149
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 115962971
1-[5-bromo-3-methyl-2-(2-methylbutoxy)phenyl]butan-2-amine
CID 112621761
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 115961088
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide
CID 115960904
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 79842990
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
CID 107701346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide (CID 115962935) is 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide is CCC(N)Cc1cc(Br)cc(C)c1OC(C)C(=O)NC.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide?
The InChIKey is LCWDENHWRGXYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-5-13(17)8-11-7-12(16)6-9(2)14(11)20-10(3)15(19)18-4/h6-7,10,13H,5,8,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide?
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide is sourced from PubChem (CID 115962935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).