1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine

C13H11ClF3NOS — CID 115850814

IUPAC1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccc(Cl)s1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H11ClF3NOS/c1-18-12(10-6-7-11(14)20-10)8-4-2-3-5-9(8)19-13(15,16)17/h2-7,12,18H,1H3
InChIKeyRUFVZFILXFXOLE-UHFFFAOYSA-N
MW321.75 g/mol
LogP4.61
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine

1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 115850814) has the molecular formula C13H11ClF3NOS and a molecular weight of 321.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID115850814
Molecular FormulaC13H11ClF3NOS
Molecular Weight321.75 g/mol
Exact Mass321.02
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccc(Cl)s1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H11ClF3NOS/c1-18-12(10-6-7-11(14)20-10)8-4-2-3-5-9(8)19-13(15,16)17/h2-7,12,18H,1H3
InChIKeyRUFVZFILXFXOLE-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141525
1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180714
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 79749216
2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 65148256
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 100729826
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480464
N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141538
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105173392
1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine (CID 115850814) is 1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine is CNC(c1ccc(Cl)s1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is RUFVZFILXFXOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NOS/c1-18-12(10-6-7-11(14)20-10)8-4-2-3-5-9(8)19-13(15,16)17/h2-7,12,18H,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 321.75 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115850814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).