2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine

C15H17ClFNS — CID 103043341

IUPAC2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2ccc(F)c(Cl)c2)NC)s1
InChIInChI=1S/C15H17ClFNS/c1-3-11-5-7-15(19-11)14(18-2)9-10-4-6-13(17)12(16)8-10/h4-8,14,18H,3,9H2,1-2H3
InChIKeyMWOKWTMCLKAOTK-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.61
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine

2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 103043341) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID103043341
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2ccc(F)c(Cl)c2)NC)s1
InChIInChI=1S/C15H17ClFNS/c1-3-11-5-7-15(19-11)14(18-2)9-10-4-6-13(17)12(16)8-10/h4-8,14,18H,3,9H2,1-2H3
InChIKeyMWOKWTMCLKAOTK-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine (CID 103043341) is 2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccc(C(Cc2ccc(F)c(Cl)c2)NC)s1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is MWOKWTMCLKAOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c1-3-11-5-7-15(19-11)14(18-2)9-10-4-6-13(17)12(16)8-10/h4-8,14,18H,3,9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 297.83 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 103043341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).