ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate

C17H18ClNO2 — CID 23033394

IUPACethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-2-21-17(20)12-19-11-13-3-5-14(6-4-13)15-7-9-16(18)10-8-15/h3-10,19H,2,11-12H2,1H3
InChIKeyUXLGKAVKHMTAGX-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.66
Rot. Bonds6

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

ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate (PubChem CID 23033394) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
PubChem CID23033394
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Nameethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-2-21-17(20)12-19-11-13-3-5-14(6-4-13)15-7-9-16(18)10-8-15/h3-10,19H,2,11-12H2,1H3
InChIKeyUXLGKAVKHMTAGX-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate 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-chloro-4-fluorophenyl)methylamino]acetate
CID 62537294
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
CID 65315908
ethyl 2-[(3-fluoro-4-methylphenyl)methylamino]acetate
CID 60721361
ethyl 2-[(3-chloro-4-methoxyphenyl)methylamino]acetate
CID 65021849
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
CID 121221786
butyl 2-[(4-methylphenyl)methylamino]acetate
CID 60679767
ethyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921268
ethyl 2-[(3,4,5-trifluorophenyl)methylamino]acetate
CID 63050540
ethyl 2-[(4-bromo-3-methylphenyl)methylamino]acetate
CID 66474260

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate?
The IUPAC name of ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate (CID 23033394) is ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate.
What is the SMILES notation for ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate?
The canonical SMILES for ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate is CCOC(=O)CNCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate?
The InChIKey is UXLGKAVKHMTAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-21-17(20)12-19-11-13-3-5-14(6-4-13)15-7-9-16(18)10-8-15/h3-10,19H,2,11-12H2,1H3.
What are the key properties of ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate?
ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate has a molecular weight of 303.79 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate is sourced from PubChem (CID 23033394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).