ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate

C14H20ClNO2 — CID 60796649

IUPACethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OCC)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-4-10-16-14(3,13(17)18-5-2)11-8-6-7-9-12(11)15/h6-9,16H,4-5,10H2,1-3H3
InChIKeyWXYOCZKHRPNKEC-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.12
Rot. Bonds6

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

ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate (PubChem CID 60796649) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
PubChem CID60796649
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OCC)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-4-10-16-14(3,13(17)18-5-2)11-8-6-7-9-12(11)15/h6-9,16H,4-5,10H2,1-3H3
InChIKeyWXYOCZKHRPNKEC-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate
CID 60788388
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
CID 54918219
ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate
CID 60786030
ethyl 2-(2-chlorophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993340
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
CID 62540113
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-(3-azidopropylamino)-2-(2-bromophenyl)propanoate
CID 66190529
2-(2-chlorophenyl)-2-ethoxycarbonyl-4-methylpent-4-enoic acid
CID 103974934

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate (CID 60796649) is ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate is CCCNC(C)(C(=O)OCC)c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate?
The InChIKey is WXYOCZKHRPNKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-10-16-14(3,13(17)18-5-2)11-8-6-7-9-12(11)15/h6-9,16H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate?
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate has a molecular weight of 269.77 g/mol, XLogP of 3.12, 6 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-(propylamino)propanoate is sourced from PubChem (CID 60796649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).