[3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol

C16H19FN2OS — CID 24773806

IUPAC[3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol
SMILESCN([11CH3])Cc1cc(F)ccc1Sc1ccc(CO)cc1N
InChIInChI=1S/C16H19FN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3/i1-1
InChIKeyAQWGYBOWCFEBRM-BJUDXGSMSA-N
MW305.41 g/mol
LogP3.11
Rot. Bonds5

About [3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol

[3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol (PubChem CID 24773806) has the molecular formula C16H19FN2OS and a molecular weight of 305.41 g/mol. Its IUPAC name is [3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol
PubChem CID24773806
Molecular FormulaC16H19FN2OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name[3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol
SMILESCN([11CH3])Cc1cc(F)ccc1Sc1ccc(CO)cc1N
InChIInChI=1S/C16H19FN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3/i1-1
InChIKeyAQWGYBOWCFEBRM-BJUDXGSMSA-N
XLogP3.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol 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-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol?
The IUPAC name of [3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol (CID 24773806) is [3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol is CN([11CH3])Cc1cc(F)ccc1Sc1ccc(CO)cc1N.
What is the InChIKey of [3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol?
The InChIKey is AQWGYBOWCFEBRM-BJUDXGSMSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3/i1-1.
What are the key properties of [3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol?
[3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol has a molecular weight of 305.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-[4-fluoro-2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 24773806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).