2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine

C13H13F2NS — CID 62601484

IUPAC2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1ccsc1
InChIInChI=1S/C13H13F2NS/c1-16-12(10-5-6-17-8-10)7-9-3-2-4-11(14)13(9)15/h2-6,8,12,16H,7H2,1H3
InChIKeyMDSATIPVLWLTQJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.53
Rot. Bonds4

About 2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine

2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine (PubChem CID 62601484) has the molecular formula C13H13F2NS and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
PubChem CID62601484
Molecular FormulaC13H13F2NS
Molecular Weight253.32 g/mol
Exact Mass253.07
IUPAC Name2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1ccsc1
InChIInChI=1S/C13H13F2NS/c1-16-12(10-5-6-17-8-10)7-9-3-2-4-11(14)13(9)15/h2-6,8,12,16H,7H2,1H3
InChIKeyMDSATIPVLWLTQJ-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385
N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 55095017
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 113453772
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62606417
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 66424445
1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 63990472
[2-(2,6-difluorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196943
2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81121768
2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80744894
2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79712624
2-(furan-2-yl)-N-methyl-1-thiophen-3-ylethanamine
CID 83175693
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 106687910

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine (CID 62601484) is 2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine is CNC(Cc1cccc(F)c1F)c1ccsc1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine?
The InChIKey is MDSATIPVLWLTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NS/c1-16-12(10-5-6-17-8-10)7-9-3-2-4-11(14)13(9)15/h2-6,8,12,16H,7H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine?
2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine has a molecular weight of 253.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62601484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).