N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine

C12H10F3NS — CID 115503099

IUPACN-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine
SMILESCNCc1csc(-c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C12H10F3NS/c1-16-5-7-2-12(17-6-7)8-3-10(14)11(15)4-9(8)13/h2-4,6,16H,5H2,1H3
InChIKeyHJMDAMZJBKMTHO-UHFFFAOYSA-N
MW257.28 g/mol
LogP3.55
Rot. Bonds3

About N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine

N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine (PubChem CID 115503099) has the molecular formula C12H10F3NS and a molecular weight of 257.28 g/mol. Its IUPAC name is N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine
PubChem CID115503099
Molecular FormulaC12H10F3NS
Molecular Weight257.28 g/mol
Exact Mass257.05
IUPAC NameN-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine
SMILESCNCc1csc(-c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C12H10F3NS/c1-16-5-7-2-12(17-6-7)8-3-10(14)11(15)4-9(8)13/h2-4,6,16H,5H2,1H3
InChIKeyHJMDAMZJBKMTHO-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[4-(Thiophen-2-yl)phenyl]methanamine
CID 2776332
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Tifacogin
CID 961320
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
(5-Phenylthiophen-2-yl)methanamine
CID 11993875
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-benzylthiophene-2-carbothioamide
CID 5298964
1-(Benzo[b]thiophen-2-yl)-N-methylmethanamine
CID 693141
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine (CID 115503099) is N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine is CNCc1csc(-c2cc(F)c(F)cc2F)c1.
What is the InChIKey of N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine?
The InChIKey is HJMDAMZJBKMTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NS/c1-16-5-7-2-12(17-6-7)8-3-10(14)11(15)4-9(8)13/h2-4,6,16H,5H2,1H3.
What are the key properties of N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine?
N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine has a molecular weight of 257.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,4,5-trifluorophenyl)thiophen-3-yl]methanamine is sourced from PubChem (CID 115503099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).