methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate

C14H21NO3 — CID 115128504

IUPACmethyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)Cc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-14(2,13(16)18-5)15(3)10-11-8-6-7-9-12(11)17-4/h6-9H,10H2,1-5H3
InChIKeyMHIHVPJJNZCRTO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds5

About methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate

methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate (PubChem CID 115128504) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
PubChem CID115128504
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)Cc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-14(2,13(16)18-5)15(3)10-11-8-6-7-9-12(11)17-4/h6-9H,10H2,1-5H3
InChIKeyMHIHVPJJNZCRTO-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128471
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128462
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate
CID 115128507
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 62735211
methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate
CID 115128600
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate
CID 115128855
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate (CID 115128504) is methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate is COC(=O)C(C)(C)N(C)Cc1ccccc1OC.
What is the InChIKey of methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate?
The InChIKey is MHIHVPJJNZCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,13(16)18-5)15(3)10-11-8-6-7-9-12(11)17-4/h6-9H,10H2,1-5H3.
What are the key properties of methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate?
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate has a molecular weight of 251.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 115128504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).