methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate

C14H21NO3 — CID 116857011

IUPACmethyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H21NO3/c1-9(2)10-6-7-11(12(8-10)17-4)13(15-3)14(16)18-5/h6-9,13,15H,1-5H3
InChIKeyOGANCPWOEGBBPZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.25
Rot. Bonds5

About methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate

methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate (PubChem CID 116857011) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
PubChem CID116857011
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H21NO3/c1-9(2)10-6-7-11(12(8-10)17-4)13(15-3)14(16)18-5/h6-9,13,15H,1-5H3
InChIKeyOGANCPWOEGBBPZ-UHFFFAOYSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-4-propan-2-ylphenyl)-(methylamino)methanethiol
CID 116954517
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
methyl 2-hydroxy-2-(3-methoxy-4-propan-2-ylphenyl)acetate
CID 117349069
2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 112513593
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 82297509
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
1-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropane-1,3-diamine
CID 116948411
2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
CID 112514676
methyl 4-amino-4-(2-methoxy-4-propan-2-ylphenyl)butanoate
CID 116940203
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate?
The IUPAC name of methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate (CID 116857011) is methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate.
What is the SMILES notation for methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate?
The canonical SMILES for methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate is CNC(C(=O)OC)c1ccc(C(C)C)cc1OC.
What is the InChIKey of methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate?
The InChIKey is OGANCPWOEGBBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(2)10-6-7-11(12(8-10)17-4)13(15-3)14(16)18-5/h6-9,13,15H,1-5H3.
What are the key properties of methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate?
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate is sourced from PubChem (CID 116857011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).