[2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine

C17H20FNS — CID 63672995

IUPAC[2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine
SMILESCC(C)(C)c1ccc(Sc2ccc(F)cc2CN)cc1
InChIInChI=1S/C17H20FNS/c1-17(2,3)13-4-7-15(8-5-13)20-16-9-6-14(18)10-12(16)11-19/h4-10H,11,19H2,1-3H3
InChIKeyYEYWGJADHHTAEG-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.73
Rot. Bonds3

About [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine

[2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine (PubChem CID 63672995) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine
PubChem CID63672995
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name[2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine
SMILESCC(C)(C)c1ccc(Sc2ccc(F)cc2CN)cc1
InChIInChI=1S/C17H20FNS/c1-17(2,3)13-4-7-15(8-5-13)20-16-9-6-14(18)10-12(16)11-19/h4-10H,11,19H2,1-3H3
InChIKeyYEYWGJADHHTAEG-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]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 [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine?
The IUPAC name of [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine (CID 63672995) is [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine is CC(C)(C)c1ccc(Sc2ccc(F)cc2CN)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine?
The InChIKey is YEYWGJADHHTAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-17(2,3)13-4-7-15(8-5-13)20-16-9-6-14(18)10-12(16)11-19/h4-10H,11,19H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine?
[2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)sulfanyl-5-fluorophenyl]methanamine is sourced from PubChem (CID 63672995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).