methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate

C13H19NO2 — CID 143449159

IUPACmethyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate
SMILESCNCc1ccc(C(C)(C)C(=O)OC)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,12(15)16-4)11-7-5-10(6-8-11)9-14-3/h5-8,14H,9H2,1-4H3
InChIKeySWAPVPCYWMVZRJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.86
Rot. Bonds4

About methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate

methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate (PubChem CID 143449159) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate
PubChem CID143449159
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate
SMILESCNCc1ccc(C(C)(C)C(=O)OC)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,12(15)16-4)11-7-5-10(6-8-11)9-14-3/h5-8,14H,9H2,1-4H3
InChIKeySWAPVPCYWMVZRJ-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 2-[4-(aminomethyl)phenyl]-2-methylpropanoate
CID 142893315
4-[[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)anilino]methyl]benzoic acid
CID 122032650
methyl 2-(4-butylphenyl)-2-methylpropanoate
CID 67631955
3-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]propanoic acid
CID 156541712
3-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 156541484
methyl 2-methyl-2-[4-(2-methyl-3-oxoprop-2-enyl)phenyl]propanoate
CID 141326598
methyl 2-methyl-2-(4-sulfanylphenyl)propanoate
CID 69138846
methyl 2-methyl-2-(4-methylphenyl)propanoate;2-methyl-2-(4-methylphenyl)propanoic acid
CID 160807405
methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate
CID 172804788
methyl 2-[4-(4-chloro-4-hydroxybutyl)phenyl]-2-methylpropanoate
CID 57073145
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate?
The IUPAC name of methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate (CID 143449159) is methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate is CNCc1ccc(C(C)(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate?
The InChIKey is SWAPVPCYWMVZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,12(15)16-4)11-7-5-10(6-8-11)9-14-3/h5-8,14H,9H2,1-4H3.
What are the key properties of methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate?
methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate has a molecular weight of 221.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[4-(methylaminomethyl)phenyl]propanoate is sourced from PubChem (CID 143449159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).