ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate

C16H25ClN2O2 — CID 60994243

IUPACethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
SMILESCCOC(=O)C(NCCN(CC)CC)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-4-19(5-2)12-11-18-15(16(20)21-6-3)13-9-7-8-10-14(13)17/h7-10,15,18H,4-6,11-12H2,1-3H3
InChIKeySNSPCVYWIDAXAK-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.88
Rot. Bonds9

About ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate

ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate (PubChem CID 60994243) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
PubChem CID60994243
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Nameethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
SMILESCCOC(=O)C(NCCN(CC)CC)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-4-19(5-2)12-11-18-15(16(20)21-6-3)13-9-7-8-10-14(13)17/h7-10,15,18H,4-6,11-12H2,1-3H3
InChIKeySNSPCVYWIDAXAK-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 141274258
2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60993939
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 54895378
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
2-[2-(diethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684899
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
2-(2-bromophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 54941562
2-(2-chloro-6-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 104816476
ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 79972888
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene
CID 174652902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate (CID 60994243) is ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate is CCOC(=O)C(NCCN(CC)CC)c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate?
The InChIKey is SNSPCVYWIDAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-4-19(5-2)12-11-18-15(16(20)21-6-3)13-9-7-8-10-14(13)17/h7-10,15,18H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate?
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate has a molecular weight of 312.84 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate is sourced from PubChem (CID 60994243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).