2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine

C16H19ClFNS — CID 105032393

IUPAC2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)c1cc(C)c(C)s1
InChIInChI=1S/C16H19ClFNS/c1-4-19-14(15-8-10(2)11(3)20-15)9-12-6-5-7-13(18)16(12)17/h5-8,14,19H,4,9H2,1-3H3
InChIKeyLFYYQXUZEBTSSJ-UHFFFAOYSA-N
MW311.85 g/mol
LogP5.05
Rot. Bonds5

About 2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine

2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine (PubChem CID 105032393) has the molecular formula C16H19ClFNS and a molecular weight of 311.85 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
PubChem CID105032393
Molecular FormulaC16H19ClFNS
Molecular Weight311.85 g/mol
Exact Mass311.09
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)c1cc(C)c(C)s1
InChIInChI=1S/C16H19ClFNS/c1-4-19-14(15-8-10(2)11(3)20-15)9-12-6-5-7-13(18)16(12)17/h5-8,14,19H,4,9H2,1-3H3
InChIKeyLFYYQXUZEBTSSJ-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.85
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 79990464
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 115983773
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105032313
2-(4-bromo-2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105037758
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878334
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 102763897
[1-(4,5-dimethylthiophen-2-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105284674
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine (CID 105032393) is 2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1Cl)c1cc(C)c(C)s1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The InChIKey is LFYYQXUZEBTSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNS/c1-4-19-14(15-8-10(2)11(3)20-15)9-12-6-5-7-13(18)16(12)17/h5-8,14,19H,4,9H2,1-3H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine has a molecular weight of 311.85 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 105032393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).