methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate

C13H19NO3 — CID 55084780

IUPACmethyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
SMILESCOCCNC(C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C13H19NO3/c1-10-4-6-11(7-5-10)12(13(15)17-3)14-8-9-16-2/h4-7,12,14H,8-9H2,1-3H3
InChIKeyFHDBXCXRESLEPI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.45
Rot. Bonds6

About methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate

methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate (PubChem CID 55084780) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
PubChem CID55084780
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
SMILESCOCCNC(C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C13H19NO3/c1-10-4-6-11(7-5-10)12(13(15)17-3)14-8-9-16-2/h4-7,12,14H,8-9H2,1-3H3
InChIKeyFHDBXCXRESLEPI-UHFFFAOYSA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
CID 62540489
methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 62540496
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
CID 82344816
ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
CID 107690318
methyl 2-(4-ethylphenyl)-2-(propylamino)acetate
CID 60795755
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
CID 65096691
ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 55084921
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
2-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate?
The IUPAC name of methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate (CID 55084780) is methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate?
The canonical SMILES for methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate is COCCNC(C(=O)OC)c1ccc(C)cc1.
What is the InChIKey of methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate?
The InChIKey is FHDBXCXRESLEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-4-6-11(7-5-10)12(13(15)17-3)14-8-9-16-2/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate?
methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate is sourced from PubChem (CID 55084780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).