5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine

C16H18F3NOS — CID 118519639

IUPAC5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESNCCCCC(Oc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C16H18F3NOS/c17-16(18,19)12-6-8-13(9-7-12)21-14(4-1-2-10-20)15-5-3-11-22-15/h3,5-9,11,14H,1-2,4,10,20H2
InChIKeyMRTFKJNANIZAMO-UHFFFAOYSA-N
MW329.39 g/mol
LogP5.02
Rot. Bonds7

About 5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine

5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine (PubChem CID 118519639) has the molecular formula C16H18F3NOS and a molecular weight of 329.39 g/mol. Its IUPAC name is 5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine.

Molecular Properties

Compound Name5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
PubChem CID118519639
Molecular FormulaC16H18F3NOS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESNCCCCC(Oc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C16H18F3NOS/c17-16(18,19)12-6-8-13(9-7-12)21-14(4-1-2-10-20)15-5-3-11-22-15/h3,5-9,11,14H,1-2,4,10,20H2
InChIKeyMRTFKJNANIZAMO-UHFFFAOYSA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The IUPAC name of 5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine (CID 118519639) is 5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine.
What is the SMILES notation for 5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The canonical SMILES for 5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine is NCCCCC(Oc1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of 5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
The InChIKey is MRTFKJNANIZAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NOS/c17-16(18,19)12-6-8-13(9-7-12)21-14(4-1-2-10-20)15-5-3-11-22-15/h3,5-9,11,14H,1-2,4,10,20H2.
What are the key properties of 5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine?
5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine has a molecular weight of 329.39 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine is sourced from PubChem (CID 118519639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).