ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate

C14H21NO2 — CID 61309873

IUPACethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
SMILESCCNC(C)(C(=O)OCC)c1cccc(C)c1
InChIInChI=1S/C14H21NO2/c1-5-15-14(4,13(16)17-6-2)12-9-7-8-11(3)10-12/h7-10,15H,5-6H2,1-4H3
InChIKeyONIYOCWEIPRYPS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds5

About ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate

ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate (PubChem CID 61309873) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
PubChem CID61309873
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
SMILESCCNC(C)(C(=O)OCC)c1cccc(C)c1
InChIInChI=1S/C14H21NO2/c1-5-15-14(4,13(16)17-6-2)12-9-7-8-11(3)10-12/h7-10,15H,5-6H2,1-4H3
InChIKeyONIYOCWEIPRYPS-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate
CID 60788201
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
CID 117049798
ethyl 4-hydroxy-2-methyl-2-(3-methylphenyl)butanoate
CID 117049965
ethyl 2,2-difluoro-3-hydroxy-3-(3-methylphenyl)butanoate
CID 55071366
ethyl 2-(3-bromophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367212
ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
CID 57419846
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-hydroxyphenyl)propanoate
CID 61001416
ethyl 3-cyano-2-methyl-2-(3-methylphenyl)propanoate
CID 117049503
ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate
CID 60786030
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
CID 61001179
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
CID 60786372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate (CID 61309873) is ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate is CCNC(C)(C(=O)OCC)c1cccc(C)c1.
What is the InChIKey of ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate?
The InChIKey is ONIYOCWEIPRYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15-14(4,13(16)17-6-2)12-9-7-8-11(3)10-12/h7-10,15H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate?
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate is sourced from PubChem (CID 61309873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).