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

C15H16F3NS — CID 43495978

IUPACN-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NS/c1-2-9-19-14(13-8-5-10-20-13)11-6-3-4-7-12(11)15(16,17)18/h3-8,10,14,19H,2,9H2,1H3
InChIKeyJDRFHXYGRDRWMU-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.86
Rot. Bonds5

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

N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 43495978) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID43495978
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC NameN-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NS/c1-2-9-19-14(13-8-5-10-20-13)11-6-3-4-7-12(11)15(16,17)18/h3-8,10,14,19H,2,9H2,1H3
InChIKeyJDRFHXYGRDRWMU-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Tifacogin
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N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
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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
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N-Methyl-N-(3-thien-3-ylbenzyl)amine
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4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
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CID 18525772

Frequently Asked Questions

What is the IUPAC name of N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 43495978) is N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNC(c1cccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is JDRFHXYGRDRWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-2-9-19-14(13-8-5-10-20-13)11-6-3-4-7-12(11)15(16,17)18/h3-8,10,14,19H,2,9H2,1H3.
What are the key properties of N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 299.36 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 43495978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).