ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate

C13H19NO3 — CID 3904081

IUPACethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
SMILESCCOC(=O)C(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C13H19NO3/c1-5-17-13(15)12(14)11-9(3)6-8(2)7-10(11)16-4/h6-7,12H,5,14H2,1-4H3
InChIKeyMTRIQLSBBHPTPF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.87
Rot. Bonds4

About ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate

ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate (PubChem CID 3904081) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
PubChem CID3904081
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
SMILESCCOC(=O)C(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C13H19NO3/c1-5-17-13(15)12(14)11-9(3)6-8(2)7-10(11)16-4/h6-7,12H,5,14H2,1-4H3
InChIKeyMTRIQLSBBHPTPF-UHFFFAOYSA-N
XLogP1.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
CID 116945508
2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
CID 106681199
4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938518
methyl 2-[amino-(2,4,6-trimethylphenyl)methyl]butanoate
CID 116945983
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
ethyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171244939
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
CID 106682520
(1S)-1-(2,6-dimethoxy-4-methylphenyl)butan-1-amine;hydrochloride
CID 171235550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate?
The IUPAC name of ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate (CID 3904081) is ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate?
The canonical SMILES for ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate is CCOC(=O)C(N)c1c(C)cc(C)cc1OC.
What is the InChIKey of ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate?
The InChIKey is MTRIQLSBBHPTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-17-13(15)12(14)11-9(3)6-8(2)7-10(11)16-4/h6-7,12H,5,14H2,1-4H3.
What are the key properties of ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate?
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate is sourced from PubChem (CID 3904081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).