ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate

C12H16ClNO2 — CID 60788388

IUPACethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(NC)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-4-16-11(15)12(2,14-3)9-7-5-6-8-10(9)13/h5-8,14H,4H2,1-3H3
InChIKeyKUFDPHKEFOSEFG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.34
Rot. Bonds4

About ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate

ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate (PubChem CID 60788388) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate
PubChem CID60788388
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Nameethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(NC)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-4-16-11(15)12(2,14-3)9-7-5-6-8-10(9)13/h5-8,14H,4H2,1-3H3
InChIKeyKUFDPHKEFOSEFG-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
CID 54918219
ethyl 2-(2-chlorophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993340
ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate
CID 60786030
ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
CID 53441221
ethyl 3-(2-chlorophenyl)-2,2-dimethyl-3-oxopropanoate
CID 22664966
2-(2-chlorophenyl)-2-ethoxycarbonyl-4-methylpent-4-enoic acid
CID 103974934
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138
methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
CID 66096712
2-(2-chlorophenyl)-2-ethoxycarbonylheptanoic acid
CID 103974913
ethyl (2S)-3-bromo-2-(2-chlorophenyl)-3-oxo-2-phenoxypropanoate
CID 87534361

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate (CID 60788388) is ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate is CCOC(=O)C(C)(NC)c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate?
The InChIKey is KUFDPHKEFOSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-16-11(15)12(2,14-3)9-7-5-6-8-10(9)13/h5-8,14H,4H2,1-3H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate?
ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate has a molecular weight of 241.72 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate is sourced from PubChem (CID 60788388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).