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

C14H21NO2 — CID 62391585

IUPACmethyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
SMILESCCc1ccccc1CNC(C)(C)C(=O)OC
InChIInChI=1S/C14H21NO2/c1-5-11-8-6-7-9-12(11)10-15-14(2,3)13(16)17-4/h6-9,15H,5,10H2,1-4H3
InChIKeyMFMOWOHCYSOKMF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds5

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

methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate (PubChem CID 62391585) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
PubChem CID62391585
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
SMILESCCc1ccccc1CNC(C)(C)C(=O)OC
InChIInChI=1S/C14H21NO2/c1-5-11-8-6-7-9-12(11)10-15-14(2,3)13(16)17-4/h6-9,15H,5,10H2,1-4H3
InChIKeyMFMOWOHCYSOKMF-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
methyl 2-(1-benzofuran-3-ylmethylamino)-2-methylpropanoate
CID 80700686
methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate
CID 62332433
2-[(2-ethylphenyl)methylamino]-2-methylpropan-1-ol
CID 62391565
methyl 2-[(2,6-difluorophenyl)methylamino]-2-methylpropanoate
CID 43725907
methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate
CID 43726123
methyl 2-[(5-chloro-2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 43726101
3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine
CID 65039204
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-methylpropanoate
CID 66159734
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
methyl 2-methyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propanoate
CID 62474581

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate (CID 62391585) is methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate is CCc1ccccc1CNC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate?
The InChIKey is MFMOWOHCYSOKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11-8-6-7-9-12(11)10-15-14(2,3)13(16)17-4/h6-9,15H,5,10H2,1-4H3.
What are the key properties of methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate?
methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate has a molecular weight of 235.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 62391585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).