methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate

C14H21NO2 — CID 43787172

IUPACmethyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cccc(C)c1
InChIInChI=1S/C14H21NO2/c1-10-7-6-8-12(9-10)11(2)15-14(3,4)13(16)17-5/h6-9,11,15H,1-5H3
InChIKeyJAFPVDCBOCHFOQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate

methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate (PubChem CID 43787172) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
PubChem CID43787172
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cccc(C)c1
InChIInChI=1S/C14H21NO2/c1-10-7-6-8-12(9-10)11(2)15-14(3,4)13(16)17-5/h6-9,11,15H,1-5H3
InChIKeyJAFPVDCBOCHFOQ-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate
CID 43726102
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693
methyl 2-[1-(3-methylphenyl)ethylamino]propanoate
CID 60781961
methyl 2-[1-(4-iodophenyl)ethylamino]-2-methylpropanoate
CID 43787152
2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81360390
N-methoxy-1-(3-methylphenyl)ethanamine
CID 79039060
N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059
ethyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81361138
methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 116910352
methyl 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-2-methylpropanoate
CID 43725974
tert-butyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetate
CID 81361338
methyl 3-[[(1R)-1-(3-methylphenyl)ethyl]amino]butanoate
CID 81360687

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate (CID 43787172) is methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate is COC(=O)C(C)(C)NC(C)c1cccc(C)c1.
What is the InChIKey of methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate?
The InChIKey is JAFPVDCBOCHFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-6-8-12(9-10)11(2)15-14(3,4)13(16)17-5/h6-9,11,15H,1-5H3.
What are the key properties of methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate?
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.60, 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-[1-(3-methylphenyl)ethylamino]propanoate is sourced from PubChem (CID 43787172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).