ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate

C15H23ClN2O3 — CID 104816553

IUPACethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate
SMILESCCOC(=O)C(NCCN(C)C)c1c(Cl)cccc1OC
InChIInChI=1S/C15H23ClN2O3/c1-5-21-15(19)14(17-9-10-18(2)3)13-11(16)7-6-8-12(13)20-4/h6-8,14,17H,5,9-10H2,1-4H3
InChIKeyOZNRKCDBZKGMQQ-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.10
Rot. Bonds8

About ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate

ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate (PubChem CID 104816553) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate
PubChem CID104816553
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Nameethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate
SMILESCCOC(=O)C(NCCN(C)C)c1c(Cl)cccc1OC
InChIInChI=1S/C15H23ClN2O3/c1-5-21-15(19)14(17-9-10-18(2)3)13-11(16)7-6-8-12(13)20-4/h6-8,14,17H,5,9-10H2,1-4H3
InChIKeyOZNRKCDBZKGMQQ-UHFFFAOYSA-N
XLogP2.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
CID 104816560
2-(2-chloro-6-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 104816476
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
CID 104816578
ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate
CID 61347720
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 54895378
ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
CID 54894456
2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054329
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 64975108
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate?
The IUPAC name of ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate (CID 104816553) is ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate.
What is the SMILES notation for ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate?
The canonical SMILES for ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate is CCOC(=O)C(NCCN(C)C)c1c(Cl)cccc1OC.
What is the InChIKey of ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate?
The InChIKey is OZNRKCDBZKGMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-5-21-15(19)14(17-9-10-18(2)3)13-11(16)7-6-8-12(13)20-4/h6-8,14,17H,5,9-10H2,1-4H3.
What are the key properties of ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate?
ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate has a molecular weight of 314.81 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate is sourced from PubChem (CID 104816553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).