methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate

C14H21NO4 — CID 79628909

IUPACmethyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1ccc(OC)cc1CN
InChIInChI=1S/C14H21NO4/c1-14(2,13(16)18-4)9-19-12-6-5-11(17-3)7-10(12)8-15/h5-7H,8-9,15H2,1-4H3
InChIKeyGPDYIZAVIHIQMU-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.73
Rot. Bonds6

About methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate

methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate (PubChem CID 79628909) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate
PubChem CID79628909
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1ccc(OC)cc1CN
InChIInChI=1S/C14H21NO4/c1-14(2,13(16)18-4)9-19-12-6-5-11(17-3)7-10(12)8-15/h5-7H,8-9,15H2,1-4H3
InChIKeyGPDYIZAVIHIQMU-UHFFFAOYSA-N
XLogP1.73
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoate
CID 79621787
5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid
CID 79624210
methyl 3-[2-(2-aminoethyl)-4-bromophenoxy]-2,2-dimethylpropanoate
CID 79620781
methyl 3-(5-amino-2-methoxyphenoxy)-2,2-dimethylpropanoate
CID 79622855
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide
CID 61490000
methyl 3-[4-bromo-2-(hydroxymethyl)phenoxy]-2,2-dimethylpropanoate
CID 79624738
3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79621891
3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
CID 82843216
[5-methoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanamine
CID 61490995
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
methyl 3-(3,4-difluorophenoxy)-2,2-dimethylpropanoate
CID 79622618
[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 61481790

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate (CID 79628909) is methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate is COC(=O)C(C)(C)COc1ccc(OC)cc1CN.
What is the InChIKey of methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate?
The InChIKey is GPDYIZAVIHIQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,13(16)18-4)9-19-12-6-5-11(17-3)7-10(12)8-15/h5-7H,8-9,15H2,1-4H3.
What are the key properties of methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate?
methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate has a molecular weight of 267.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 79628909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).