N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine

C15H14F3NS — CID 63050887

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine
SMILESFc1cc(CNCc2cc3c(s2)CCC3)cc(F)c1F
InChIInChI=1S/C15H14F3NS/c16-12-4-9(5-13(17)15(12)18)7-19-8-11-6-10-2-1-3-14(10)20-11/h4-6,19H,1-3,7-8H2
InChIKeyCQOUWODBWVTKFN-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.94
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine (PubChem CID 63050887) has the molecular formula C15H14F3NS and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine
PubChem CID63050887
Molecular FormulaC15H14F3NS
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine
SMILESFc1cc(CNCc2cc3c(s2)CCC3)cc(F)c1F
InChIInChI=1S/C15H14F3NS/c16-12-4-9(5-13(17)15(12)18)7-19-8-11-6-10-2-1-3-14(10)20-11/h4-6,19H,1-3,7-8H2
InChIKeyCQOUWODBWVTKFN-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine 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 N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine (CID 63050887) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine is Fc1cc(CNCc2cc3c(s2)CCC3)cc(F)c1F.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is CQOUWODBWVTKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c16-12-4-9(5-13(17)15(12)18)7-19-8-11-6-10-2-1-3-14(10)20-11/h4-6,19H,1-3,7-8H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 297.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 63050887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).