methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene

C15H18ClNO2S — CID 174652902

IUPACmethyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene
SMILESCCNC(C(=O)OC)c1ccccc1Cl.c1ccsc1
InChIInChI=1S/C11H14ClNO2.C4H4S/c1-3-13-10(11(14)15-2)8-6-4-5-7-9(8)12;1-2-4-5-3-1/h4-7,10,13H,3H2,1-2H3;1-4H
InChIKeyPDSVZSUCRWQTIR-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.91
Rot. Bonds4

About methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene

methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene (PubChem CID 174652902) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene
PubChem CID174652902
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Namemethyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene
SMILESCCNC(C(=O)OC)c1ccccc1Cl.c1ccsc1
InChIInChI=1S/C11H14ClNO2.C4H4S/c1-3-13-10(11(14)15-2)8-6-4-5-7-9(8)12;1-2-4-5-3-1/h4-7,10,13H,3H2,1-2H3;1-4H
InChIKeyPDSVZSUCRWQTIR-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate
CID 78845715
methyl 2-(2-chlorophenyl)-2-(2-thiophen-3-ylethylamino)acetate;hydrochloride
CID 71473339
methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 24938549
ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 141274258
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
methyl 2-(2-chlorophenyl)-3-methoxypropanoate
CID 117244467
2-(3-chloro-2-fluorophenyl)-2-(ethylamino)acetamide
CID 114488098
methyl 2-(2-hydroxyphenyl)-2-(prop-2-ynylamino)acetate
CID 116684991
methyl 2-(3-bromoanilino)-2-(2-chlorophenyl)acetate
CID 60727309

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene (CID 174652902) is methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene is CCNC(C(=O)OC)c1ccccc1Cl.c1ccsc1.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene?
The InChIKey is PDSVZSUCRWQTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2.C4H4S/c1-3-13-10(11(14)15-2)8-6-4-5-7-9(8)12;1-2-4-5-3-1/h4-7,10,13H,3H2,1-2H3;1-4H.
What are the key properties of methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene?
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;thiophene has a molecular weight of 311.83 g/mol, XLogP of 3.91, 4 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-(ethylamino)acetate;thiophene is sourced from PubChem (CID 174652902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).