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

C15H17ClFNS — CID 103043346

IUPAC2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccsc1C(Cc1ccc(F)c(Cl)c1)NC
InChIInChI=1S/C15H17ClFNS/c1-3-11-6-7-19-15(11)14(18-2)9-10-4-5-13(17)12(16)8-10/h4-8,14,18H,3,9H2,1-2H3
InChIKeyLCYVDASQESVQIJ-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.61
Rot. Bonds5

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

2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 103043346) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID103043346
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccsc1C(Cc1ccc(F)c(Cl)c1)NC
InChIInChI=1S/C15H17ClFNS/c1-3-11-6-7-19-15(11)14(18-2)9-10-4-5-13(17)12(16)8-10/h4-8,14,18H,3,9H2,1-2H3
InChIKeyLCYVDASQESVQIJ-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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Related Compounds

CID 1817785
CID 1817785
CID 2739269
CID 2739269
CID 4868418
CID 4868418
CID 4868416
CID 4868416
CID 10062233
CID 10062233
CID 44535881
CID 44535881
CID 1817795
CID 1817795
CID 834534
CID 834534
CID 1817787
CID 1817787
CID 1817793
CID 1817793
CID 285511
CID 285511
CID 3061989
CID 3061989

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine (CID 103043346) is 2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccsc1C(Cc1ccc(F)c(Cl)c1)NC.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is LCYVDASQESVQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c1-3-11-6-7-19-15(11)14(18-2)9-10-4-5-13(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-(3-ethylthiophen-2-yl)-N-methylethanamine?
2-(3-chloro-4-fluorophenyl)-1-(3-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-(3-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 103043346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).