ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate

C18H20ClNO2 — CID 20516656

IUPACethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-2-22-18(21)12-9-15-5-3-4-6-17(15)20-13-14-7-10-16(19)11-8-14/h3-8,10-11,20H,2,9,12-13H2,1H3
InChIKeyJADFEYDIWXNBID-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.45
Rot. Bonds7

About ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate

ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate (PubChem CID 20516656) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate
PubChem CID20516656
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Nameethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-2-22-18(21)12-9-15-5-3-4-6-17(15)20-13-14-7-10-16(19)11-8-14/h3-8,10-11,20H,2,9,12-13H2,1H3
InChIKeyJADFEYDIWXNBID-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]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

[2-[(4-chlorophenyl)methylamino]phenyl]methanol
CID 14260872
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
CID 109021695
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 3-[4-(methylaminomethyl)phenyl]propanoate
CID 164606778
ethyl 2-(2-ethylanilino)acetate
CID 28583397
2-[2-[(4-ethoxyphenyl)methylamino]phenyl]acetamide
CID 43738439
4-[(2-ethylanilino)methyl]benzamide
CID 28583374
ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate
CID 108892013
(2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate
CID 78877457
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579246
ethyl 2-[2-(4-chlorophenyl)ethanethioyl]sulfanylacetate
CID 14294107

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate?
The IUPAC name of ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate (CID 20516656) is ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate is CCOC(=O)CCc1ccccc1NCc1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate?
The InChIKey is JADFEYDIWXNBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-2-22-18(21)12-9-15-5-3-4-6-17(15)20-13-14-7-10-16(19)11-8-14/h3-8,10-11,20H,2,9,12-13H2,1H3.
What are the key properties of ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate?
ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate has a molecular weight of 317.82 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(4-chlorophenyl)methylamino]phenyl]propanoate is sourced from PubChem (CID 20516656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).