ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate

C14H20ClNO2 — CID 60788385

IUPACethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
SMILESCCNC(CC)(C(=O)OCC)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-4-14(16-5-2,13(17)18-6-3)11-8-7-9-12(15)10-11/h7-10,16H,4-6H2,1-3H3
InChIKeyUEZRXRBFEPQWFV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.12
Rot. Bonds6

About ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate

ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate (PubChem CID 60788385) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
PubChem CID60788385
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
SMILESCCNC(CC)(C(=O)OCC)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-4-14(16-5-2,13(17)18-6-3)11-8-7-9-12(15)10-11/h7-10,16H,4-6H2,1-3H3
InChIKeyUEZRXRBFEPQWFV-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-(3-chlorophenyl)-2-(ethylamino)butanoate 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-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
ethyl 2-(3-chlorophenyl)-2-(prop-2-ynylamino)butanoate
CID 62364965
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890
ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate
CID 60787029
2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
2-(3-chlorophenyl)-2-(propylamino)butanoic acid
CID 43754042
ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307
2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid
CID 61024537
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814
ethyl 2-phenyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 60997877
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate?
The IUPAC name of ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate (CID 60788385) is ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate.
What is the SMILES notation for ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate?
The canonical SMILES for ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate is CCNC(CC)(C(=O)OCC)c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate?
The InChIKey is UEZRXRBFEPQWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-14(16-5-2,13(17)18-6-3)11-8-7-9-12(15)10-11/h7-10,16H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate?
ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate 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-(3-chlorophenyl)-2-(ethylamino)butanoate is sourced from PubChem (CID 60788385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).