methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate

C13H19NO3 — CID 54932725

IUPACmethyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate
SMILESCNC(C(=O)OC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C13H19NO3/c1-9(2)17-11-7-5-10(6-8-11)12(14-3)13(15)16-4/h5-9,12,14H,1-4H3
InChIKeyJAOHJUYVPAWYRY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds5

About methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate

methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate (PubChem CID 54932725) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate
PubChem CID54932725
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate
SMILESCNC(C(=O)OC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C13H19NO3/c1-9(2)17-11-7-5-10(6-8-11)12(14-3)13(15)16-4/h5-9,12,14H,1-4H3
InChIKeyJAOHJUYVPAWYRY-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
2-(cyclopropylamino)-2-(4-propan-2-yloxyphenyl)acetamide
CID 54937644
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 116955534
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 61002775
methyl 4-hydroxy-3-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 82348500
3-amino-4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoic acid
CID 116957906
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
CID 61212076
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-propan-2-yloxyphenyl)acetic acid
CID 69144874
2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116953225
2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetamide
CID 60997329

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate?
The IUPAC name of methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate (CID 54932725) is methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate.
What is the SMILES notation for methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate?
The canonical SMILES for methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate is CNC(C(=O)OC)c1ccc(OC(C)C)cc1.
What is the InChIKey of methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate?
The InChIKey is JAOHJUYVPAWYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)17-11-7-5-10(6-8-11)12(14-3)13(15)16-4/h5-9,12,14H,1-4H3.
What are the key properties of methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate?
methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-2-(4-propan-2-yloxyphenyl)acetate is sourced from PubChem (CID 54932725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).