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

C14H21NO4 — CID 55057129

IUPACmethyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
SMILESCCOc1ccc(C)cc1C(N)COCC(=O)OC
InChIInChI=1S/C14H21NO4/c1-4-19-13-6-5-10(2)7-11(13)12(15)8-18-9-14(16)17-3/h5-7,12H,4,8-9,15H2,1-3H3
InChIKeySWHCAGNDGZYDBF-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.58
Rot. Bonds7

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

methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate (PubChem CID 55057129) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
PubChem CID55057129
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
SMILESCCOc1ccc(C)cc1C(N)COCC(=O)OC
InChIInChI=1S/C14H21NO4/c1-4-19-13-6-5-10(2)7-11(13)12(15)8-18-9-14(16)17-3/h5-7,12H,4,8-9,15H2,1-3H3
InChIKeySWHCAGNDGZYDBF-UHFFFAOYSA-N
XLogP1.58
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetamide
CID 62302330
methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate
CID 61328764
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
CID 62301820
methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate
CID 61327808
ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate
CID 61327800
5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid
CID 62941477
methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate
CID 82347110
methyl 3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78955036
methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate
CID 61329545
1-(2-ethoxy-5-methylphenyl)octan-1-amine
CID 63505684
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate?
The IUPAC name of methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate (CID 55057129) is methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate?
The canonical SMILES for methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate is CCOc1ccc(C)cc1C(N)COCC(=O)OC.
What is the InChIKey of methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate?
The InChIKey is SWHCAGNDGZYDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-19-13-6-5-10(2)7-11(13)12(15)8-18-9-14(16)17-3/h5-7,12H,4,8-9,15H2,1-3H3.
What are the key properties of methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate?
methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate has a molecular weight of 267.32 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate is sourced from PubChem (CID 55057129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).