1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

C11H12F3NS — CID 162544005

IUPAC1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCC1CS1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)10-4-2-1-3-8(10)5-15-6-9-7-16-9/h1-4,9,15H,5-7H2
InChIKeyPZNNTNZTAZYOLM-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.91
Rot. Bonds4

About 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 162544005) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID162544005
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCC1CS1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)10-4-2-1-3-8(10)5-15-6-9-7-16-9/h1-4,9,15H,5-7H2
InChIKeyPZNNTNZTAZYOLM-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106124800
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
1-[2-(trifluoromethyl)phenyl]-N-[[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]methanamine;dihydrochloride
CID 138398761
N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945
1-(1,4-dithian-2-yl)-N-[(2-ethylphenyl)methyl]methanamine
CID 113489338
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
(E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 107899908
2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 104857703
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 2783073

Frequently Asked Questions

What is the IUPAC name of 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (CID 162544005) is 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)c1ccccc1CNCC1CS1.
What is the InChIKey of 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is PZNNTNZTAZYOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c12-11(13,14)10-4-2-1-3-8(10)5-15-6-9-7-16-9/h1-4,9,15H,5-7H2.
What are the key properties of 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 247.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 162544005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).