1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

C15H16F3NS — CID 43480838

IUPAC1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCc1ccc(C(NC)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H16F3NS/c1-3-12-7-8-13(20-12)14(19-2)10-5-4-6-11(9-10)15(16,17)18/h4-9,14,19H,3H2,1-2H3
InChIKeyFFHVHOBPOFUTDJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.64
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 43480838) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID43480838
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC Name1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCc1ccc(C(NC)c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H16F3NS/c1-3-12-7-8-13(20-12)14(19-2)10-5-4-6-11(9-10)15(16,17)18/h4-9,14,19H,3H2,1-2H3
InChIKeyFFHVHOBPOFUTDJ-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758626
1-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43480785
N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43488227
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 102763751
N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850612
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 80531387
1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4271045
1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43481712
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43486860
1-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43480803
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (CID 43480838) is 1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is CCc1ccc(C(NC)c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FFHVHOBPOFUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-3-12-7-8-13(20-12)14(19-2)10-5-4-6-11(9-10)15(16,17)18/h4-9,14,19H,3H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 299.36 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43480838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).