methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate

C14H21NO5 — CID 61327808

IUPACmethyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate
SMILESCOC(=O)COCC(N)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H21NO5/c1-9-5-12(17-2)13(18-3)6-10(9)11(15)7-20-8-14(16)19-4/h5-6,11H,7-8,15H2,1-4H3
InChIKeyXTXKIHYUQGJUSB-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.20
Rot. Bonds7

About methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate

methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate (PubChem CID 61327808) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate
PubChem CID61327808
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate
SMILESCOC(=O)COCC(N)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H21NO5/c1-9-5-12(17-2)13(18-3)6-10(9)11(15)7-20-8-14(16)19-4/h5-6,11H,7-8,15H2,1-4H3
InChIKeyXTXKIHYUQGJUSB-UHFFFAOYSA-N
XLogP1.20
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate
CID 61329545
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
CID 55057129
3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide
CID 116849248
ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate
CID 61327800
methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate
CID 61328764
methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate
CID 79991245
methyl (3R)-3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoate
CID 61149652
1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934918
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propane-1-thiol
CID 116831267
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate?
The IUPAC name of methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate (CID 61327808) is methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate?
The canonical SMILES for methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate is COC(=O)COCC(N)c1cc(OC)c(OC)cc1C.
What is the InChIKey of methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate?
The InChIKey is XTXKIHYUQGJUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-9-5-12(17-2)13(18-3)6-10(9)11(15)7-20-8-14(16)19-4/h5-6,11H,7-8,15H2,1-4H3.
What are the key properties of methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate?
methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate has a molecular weight of 283.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate is sourced from PubChem (CID 61327808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).