2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide

C15H21BrN2O2 — CID 115961104

IUPAC2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1c(C)cc(Br)cc1CNC
InChIInChI=1S/C15H21BrN2O2/c1-5-6-18-15(19)11(3)20-14-10(2)7-13(16)8-12(14)9-17-4/h5,7-8,11,17H,1,6,9H2,2-4H3,(H,18,19)
InChIKeyXJKCCLVCMHEFIZ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.55
Rot. Bonds7

About 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide

2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide (PubChem CID 115961104) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
PubChem CID115961104
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1c(C)cc(Br)cc1CNC
InChIInChI=1S/C15H21BrN2O2/c1-5-6-18-15(19)11(3)20-14-10(2)7-13(16)8-12(14)9-17-4/h5,7-8,11,17H,1,6,9H2,2-4H3,(H,18,19)
InChIKeyXJKCCLVCMHEFIZ-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 115961088
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide
CID 107738304
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60881074
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide
CID 115960904
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-prop-2-enylacetamide
CID 112619909
1-(5-bromo-3-methyl-2-pent-4-enoxyphenyl)-N-methylmethanamine
CID 112619968
2-[4-bromo-2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 115961506
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide
CID 115962935
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N,N-dimethylacetamide
CID 112620028
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylpropanamide
CID 115962149

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide (CID 115961104) is 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1c(C)cc(Br)cc1CNC.
What is the InChIKey of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
The InChIKey is XJKCCLVCMHEFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-5-6-18-15(19)11(3)20-14-10(2)7-13(16)8-12(14)9-17-4/h5,7-8,11,17H,1,6,9H2,2-4H3,(H,18,19).
What are the key properties of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide?
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide has a molecular weight of 341.25 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 115961104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).