1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine

C13H13ClFNS — CID 107530688

IUPAC1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cc(F)ccc2Cl)s1
InChIInChI=1S/C13H13ClFNS/c1-8(16-2)12-5-6-13(17-12)10-7-9(15)3-4-11(10)14/h3-8,16H,1-2H3
InChIKeyLHZMCZFCEDYUFS-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.49
Rot. Bonds3

About 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine

1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine (PubChem CID 107530688) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine
PubChem CID107530688
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cc(F)ccc2Cl)s1
InChIInChI=1S/C13H13ClFNS/c1-8(16-2)12-5-6-13(17-12)10-7-9(15)3-4-11(10)14/h3-8,16H,1-2H3
InChIKeyLHZMCZFCEDYUFS-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-2-yl]ethanamine
CID 62810581
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 107530684
1-[5-(2-chloro-4-iodophenyl)thiophen-2-yl]-N-methylethanamine
CID 107607471
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine
CID 81275271
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
CID 82540185
1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N-methylethanamine
CID 65437979
N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 63400734
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287835
N-methyl-1-(5-phenylthiophen-2-yl)ethanamine
CID 43288011
N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288225
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine (CID 107530688) is 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine is CNC(C)c1ccc(-c2cc(F)ccc2Cl)s1.
What is the InChIKey of 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine?
The InChIKey is LHZMCZFCEDYUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-8(16-2)12-5-6-13(17-12)10-7-9(15)3-4-11(10)14/h3-8,16H,1-2H3.
What are the key properties of 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine?
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine has a molecular weight of 269.77 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine is sourced from PubChem (CID 107530688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).