2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine

C14H14Cl2FNS — CID 102866395

IUPAC2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)c1sccc1Cl
InChIInChI=1S/C14H14Cl2FNS/c1-2-18-12(14-11(16)6-7-19-14)8-9-4-3-5-10(15)13(9)17/h3-7,12,18H,2,8H2,1H3
InChIKeyUKSFGQURTKEJHM-UHFFFAOYSA-N
MW318.24 g/mol
LogP5.09
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine

2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 102866395) has the molecular formula C14H14Cl2FNS and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID102866395
Molecular FormulaC14H14Cl2FNS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)c1sccc1Cl
InChIInChI=1S/C14H14Cl2FNS/c1-2-18-12(14-11(16)6-7-19-14)8-9-4-3-5-10(15)13(9)17/h3-7,12,18H,2,8H2,1H3
InChIKeyUKSFGQURTKEJHM-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.24
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 102867017
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107995783
[2-(2-chloro-3-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105332778
2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 102867292
2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841258
2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988271
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806395
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
1-(3-bromo-5-methylphenyl)-2-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 102866399
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82806184

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine (CID 102866395) is 2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1F)c1sccc1Cl.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is UKSFGQURTKEJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FNS/c1-2-18-12(14-11(16)6-7-19-14)8-9-4-3-5-10(15)13(9)17/h3-7,12,18H,2,8H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 318.24 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 102866395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).