ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate

C14H18ClNO2 — CID 54918219

IUPACethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
SMILESCCOC(=O)C(C)(NC1CC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-3-18-13(17)14(2,16-10-8-9-10)11-6-4-5-7-12(11)15/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyFQDNPZPCOHEMJF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.87
Rot. Bonds5

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

ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate (PubChem CID 54918219) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
PubChem CID54918219
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Nameethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
SMILESCCOC(=O)C(C)(NC1CC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-3-18-13(17)14(2,16-10-8-9-10)11-6-4-5-7-12(11)15/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyFQDNPZPCOHEMJF-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate
CID 60788388
ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
CID 60998155
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
ethyl 2-(2-chlorophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993340
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 60796294
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342
ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83120217
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
CID 53441221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate (CID 54918219) is ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate is CCOC(=O)C(C)(NC1CC1)c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate?
The InChIKey is FQDNPZPCOHEMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-18-13(17)14(2,16-10-8-9-10)11-6-4-5-7-12(11)15/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate?
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate has a molecular weight of 267.76 g/mol, XLogP of 2.87, 5 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-(cyclopropylamino)propanoate is sourced from PubChem (CID 54918219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).