2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine

C15H17ClFNS — CID 102832366

IUPAC2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)c1ccsc1C
InChIInChI=1S/C15H17ClFNS/c1-3-18-15(13-6-7-19-10(13)2)8-11-4-5-12(17)9-14(11)16/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyFOHDECOHCNDWSW-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.74
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine (PubChem CID 102832366) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
PubChem CID102832366
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)c1ccsc1C
InChIInChI=1S/C15H17ClFNS/c1-3-18-15(13-6-7-19-10(13)2)8-11-4-5-12(17)9-14(11)16/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyFOHDECOHCNDWSW-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115840517
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 79723401
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115840534
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 105037839
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 63949608
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine (CID 102832366) is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine is CCNC(Cc1ccc(F)cc1Cl)c1ccsc1C.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine?
The InChIKey is FOHDECOHCNDWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c1-3-18-15(13-6-7-19-10(13)2)8-11-4-5-12(17)9-14(11)16/h4-7,9,15,18H,3,8H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine has a molecular weight of 297.83 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 102832366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).