methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate

C15H22BrNO4 — CID 79620889

IUPACmethyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate
SMILESCNCc1cc(Br)c(OCC(C)(C)C(=O)OC)c(OC)c1
InChIInChI=1S/C15H22BrNO4/c1-15(2,14(18)20-5)9-21-13-11(16)6-10(8-17-3)7-12(13)19-4/h6-7,17H,8-9H2,1-5H3
InChIKeyXDGGLSHRIGURPK-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.76
Rot. Bonds7

About methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate

methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate (PubChem CID 79620889) has the molecular formula C15H22BrNO4 and a molecular weight of 360.25 g/mol. Its IUPAC name is methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate
PubChem CID79620889
Molecular FormulaC15H22BrNO4
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Namemethyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate
SMILESCNCc1cc(Br)c(OCC(C)(C)C(=O)OC)c(OC)c1
InChIInChI=1S/C15H22BrNO4/c1-15(2,14(18)20-5)9-21-13-11(16)6-10(8-17-3)7-12(13)19-4/h6-7,17H,8-9H2,1-5H3
InChIKeyXDGGLSHRIGURPK-UHFFFAOYSA-N
XLogP2.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate with MolForge

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Related Compounds

2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
4-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891811
2-[2-bromo-4-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 63056313
3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899805
1-[3-bromo-5-methoxy-4-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66045193
1-[3-bromo-5-methoxy-4-(3-methylbut-2-enoxy)phenyl]-N-methylmethanamine
CID 60887344
6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702470
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79620613
1-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63929607
1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 102880382
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
1-[3-bromo-5-methoxy-4-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 43622288

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate (CID 79620889) is methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate is CNCc1cc(Br)c(OCC(C)(C)C(=O)OC)c(OC)c1.
What is the InChIKey of methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate?
The InChIKey is XDGGLSHRIGURPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4/c1-15(2,14(18)20-5)9-21-13-11(16)6-10(8-17-3)7-12(13)19-4/h6-7,17H,8-9H2,1-5H3.
What are the key properties of methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate?
methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate has a molecular weight of 360.25 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 79620889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).