1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol

C12H18FNOS — CID 64812157

IUPAC1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)Sc1ccccc1F
InChIInChI=1S/C12H18FNOS/c1-9(7-12(2,15)8-14)16-11-6-4-3-5-10(11)13/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyVHAPASBNVOHXFQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.41
Rot. Bonds5

About 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol

1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol (PubChem CID 64812157) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol
PubChem CID64812157
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)Sc1ccccc1F
InChIInChI=1S/C12H18FNOS/c1-9(7-12(2,15)8-14)16-11-6-4-3-5-10(11)13/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyVHAPASBNVOHXFQ-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-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 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol (CID 64812157) is 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol is CC(CC(C)(O)CN)Sc1ccccc1F.
What is the InChIKey of 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol?
The InChIKey is VHAPASBNVOHXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-9(7-12(2,15)8-14)16-11-6-4-3-5-10(11)13/h3-6,9,15H,7-8,14H2,1-2H3.
What are the key properties of 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol?
1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-2-ol is sourced from PubChem (CID 64812157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).