5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine

C18H20F3NS — CID 118519707

IUPAC5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine
SMILESNCCCCC(Sc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H20F3NS/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2
InChIKeyHRZSUHXXDLVECB-UHFFFAOYSA-N
MW339.43 g/mol
LogP5.67
Rot. Bonds7

About 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine

5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine (PubChem CID 118519707) has the molecular formula C18H20F3NS and a molecular weight of 339.43 g/mol. Its IUPAC name is 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine.

Molecular Properties

Compound Name5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine
PubChem CID118519707
Molecular FormulaC18H20F3NS
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine
SMILESNCCCCC(Sc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H20F3NS/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2
InChIKeyHRZSUHXXDLVECB-UHFFFAOYSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.43
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine?
The IUPAC name of 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine (CID 118519707) is 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine.
What is the SMILES notation for 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine?
The canonical SMILES for 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine is NCCCCC(Sc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine?
The InChIKey is HRZSUHXXDLVECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NS/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2.
What are the key properties of 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine?
5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine has a molecular weight of 339.43 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfanylpentan-1-amine is sourced from PubChem (CID 118519707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).