methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate

C14H21NO2 — CID 54977746

IUPACmethyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OC)c1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-5-8-15-13(14(16)17-4)12-9-10(2)6-7-11(12)3/h6-7,9,13,15H,5,8H2,1-4H3
InChIKeyGREZCBYHLNHBEU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds5

About methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate

methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate (PubChem CID 54977746) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
PubChem CID54977746
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OC)c1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-5-8-15-13(14(16)17-4)12-9-10(2)6-7-11(12)3/h6-7,9,13,15H,5,8H2,1-4H3
InChIKeyGREZCBYHLNHBEU-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 55084921
methyl 2-[(2,5-dimethylphenyl)-hydroxymethyl]butanoate
CID 62395439
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
methyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699634
ethyl 2-(2,5-dimethylphenyl)-3-hydroxypropanoate
CID 45097761
ethyl 3-(2,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235879
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038
methyl 2-(4-ethylphenyl)-2-(propylamino)acetate
CID 60795755
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713
methyl 4-amino-4-(2,5-dimethylphenyl)-2,2-dimethylbutanoate
CID 65298096
ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate
CID 102362132

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate?
The IUPAC name of methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate (CID 54977746) is methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate.
What is the SMILES notation for methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate?
The canonical SMILES for methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate is CCCNC(C(=O)OC)c1cc(C)ccc1C.
What is the InChIKey of methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate?
The InChIKey is GREZCBYHLNHBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-8-15-13(14(16)17-4)12-9-10(2)6-7-11(12)3/h6-7,9,13,15H,5,8H2,1-4H3.
What are the key properties of methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate?
methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate has a molecular weight of 235.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate is sourced from PubChem (CID 54977746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).