ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate

C12H16ClNO3 — CID 116961334

IUPACethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
SMILESCCOC(=O)C(NC)c1ccc(OC)cc1Cl
InChIInChI=1S/C12H16ClNO3/c1-4-17-12(15)11(14-2)9-6-5-8(16-3)7-10(9)13/h5-7,11,14H,4H2,1-3H3
InChIKeyHGFQHGSAMSGFCE-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.17
Rot. Bonds5

About ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate

ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate (PubChem CID 116961334) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
PubChem CID116961334
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Nameethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
SMILESCCOC(=O)C(NC)c1ccc(OC)cc1Cl
InChIInChI=1S/C12H16ClNO3/c1-4-17-12(15)11(14-2)9-6-5-8(16-3)7-10(9)13/h5-7,11,14H,4H2,1-3H3
InChIKeyHGFQHGSAMSGFCE-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
CID 60786403
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
3-amino-3-(2-chloro-4-methoxyphenyl)-2-(methylamino)propanoic acid
CID 116946910
ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate
CID 102362132
ethyl 6-amino-6-(2-chloro-4-methoxyphenyl)hexanoate
CID 60861847
ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60787918
ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate
CID 116961364
1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
CID 114752463
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
2-(2-chloro-4-methoxyphenyl)-3-methylbutanoic acid
CID 82293515
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
ethyl 2-[(2-chloro-4-methoxyphenyl)methyl]-3-oxobutanoate
CID 58836585

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate?
The IUPAC name of ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate (CID 116961334) is ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate?
The canonical SMILES for ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate is CCOC(=O)C(NC)c1ccc(OC)cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate?
The InChIKey is HGFQHGSAMSGFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-4-17-12(15)11(14-2)9-6-5-8(16-3)7-10(9)13/h5-7,11,14H,4H2,1-3H3.
What are the key properties of ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate?
ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate has a molecular weight of 257.72 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate is sourced from PubChem (CID 116961334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).