3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol

C18H20FNOS — CID 111755846

IUPAC3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol
SMILESOC1(CNC(c2ccccc2)c2ccc(F)cc2)CCSC1
InChIInChI=1S/C18H20FNOS/c19-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-18(21)10-11-22-13-18/h1-9,17,20-21H,10-13H2
InChIKeyGARVDJIICFNFKN-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.37
Rot. Bonds5

About 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol

3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol (PubChem CID 111755846) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol
PubChem CID111755846
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol
SMILESOC1(CNC(c2ccccc2)c2ccc(F)cc2)CCSC1
InChIInChI=1S/C18H20FNOS/c19-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-18(21)10-11-22-13-18/h1-9,17,20-21H,10-13H2
InChIKeyGARVDJIICFNFKN-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol 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 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol?
The IUPAC name of 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol (CID 111755846) is 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol.
What is the SMILES notation for 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol?
The canonical SMILES for 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol is OC1(CNC(c2ccccc2)c2ccc(F)cc2)CCSC1.
What is the InChIKey of 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol?
The InChIKey is GARVDJIICFNFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c19-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-18(21)10-11-22-13-18/h1-9,17,20-21H,10-13H2.
What are the key properties of 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol?
3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol has a molecular weight of 317.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(4-fluorophenyl)-phenylmethyl]amino]methyl]thiolan-3-ol is sourced from PubChem (CID 111755846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).