1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine

C15H16F3NS — CID 61223006

IUPAC1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(Cc1ccsc1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NS/c1-11(7-13-5-6-20-10-13)19-9-12-3-2-4-14(8-12)15(16,17)18/h2-6,8,10-11,19H,7,9H2,1H3
InChIKeyYZFQYMKNJNPQMX-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.49
Rot. Bonds5

About 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine

1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 61223006) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID61223006
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC Name1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(Cc1ccsc1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NS/c1-11(7-13-5-6-20-10-13)19-9-12-3-2-4-14(8-12)15(16,17)18/h2-6,8,10-11,19H,7,9H2,1H3
InChIKeyYZFQYMKNJNPQMX-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
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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
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4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine (CID 61223006) is 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine is CC(Cc1ccsc1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is YZFQYMKNJNPQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-11(7-13-5-6-20-10-13)19-9-12-3-2-4-14(8-12)15(16,17)18/h2-6,8,10-11,19H,7,9H2,1H3.
What are the key properties of 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 299.36 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 61223006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).