3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide

C13H19BrN2O2 — CID 61390121

IUPAC3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide
SMILESCCNCc1cccc(Br)c1OCC(C)C(N)=O
InChIInChI=1S/C13H19BrN2O2/c1-3-16-7-10-5-4-6-11(14)12(10)18-8-9(2)13(15)17/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17)
InChIKeyICTOBJOSMVYOFV-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.06
Rot. Bonds7

About 3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide

3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide (PubChem CID 61390121) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide
PubChem CID61390121
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide
SMILESCCNCc1cccc(Br)c1OCC(C)C(N)=O
InChIInChI=1S/C13H19BrN2O2/c1-3-16-7-10-5-4-6-11(14)12(10)18-8-9(2)13(15)17/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17)
InChIKeyICTOBJOSMVYOFV-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
3-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 107742264
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 61390112
methyl 3-[2-bromo-6-(ethylaminomethyl)phenoxy]propanoate
CID 63949097
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide
CID 61390012
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 55193645
1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156520
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 62699145
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-butylpropanamide
CID 61390210

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide (CID 61390121) is 3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide is CCNCc1cccc(Br)c1OCC(C)C(N)=O.
What is the InChIKey of 3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide?
The InChIKey is ICTOBJOSMVYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-16-7-10-5-4-6-11(14)12(10)18-8-9(2)13(15)17/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide?
3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide is sourced from PubChem (CID 61390121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).