methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride

C15H17Cl2NO2S — CID 71473339

IUPACmethyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride
SMILESCOC(=O)C(NCCc1ccsc1)c1ccccc1Cl.Cl
InChIInChI=1S/C15H16ClNO2S.ClH/c1-19-15(18)14(12-4-2-3-5-13(12)16)17-8-6-11-7-9-20-10-11;/h2-5,7,9-10,14,17H,6,8H2,1H3;1H
InChIKeyKWFIISZKBXQAMP-UHFFFAOYSA-N
MW346.28 g/mol
LogP3.87
Rot. Bonds6

About methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride

methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride (PubChem CID 71473339) has the molecular formula C15H17Cl2NO2S and a molecular weight of 346.28 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride
PubChem CID71473339
Molecular FormulaC15H17Cl2NO2S
Molecular Weight346.28 g/mol
Exact Mass345.04
IUPAC Namemethyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride
SMILESCOC(=O)C(NCCc1ccsc1)c1ccccc1Cl.Cl
InChIInChI=1S/C15H16ClNO2S.ClH/c1-19-15(18)14(12-4-2-3-5-13(12)16)17-8-6-11-7-9-20-10-11;/h2-5,7,9-10,14,17H,6,8H2,1H3;1H
InChIKeyKWFIISZKBXQAMP-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 24938549
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene
CID 174652902
ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 141274258
methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate
CID 78845715
(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
CID 174603780
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
benzyl 2-methyl-3-(2-thiophen-3-ylethylamino)propanoate
CID 106483976
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride (CID 71473339) is methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride is COC(=O)C(NCCc1ccsc1)c1ccccc1Cl.Cl.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride?
The InChIKey is KWFIISZKBXQAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S.ClH/c1-19-15(18)14(12-4-2-3-5-13(12)16)17-8-6-11-7-9-20-10-11;/h2-5,7,9-10,14,17H,6,8H2,1H3;1H.
What are the key properties of methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride?
methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride has a molecular weight of 346.28 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride is sourced from PubChem (CID 71473339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).