2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

C14H22FN3O2S — CID 63649121

IUPAC2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(S(C)(=O)=O)CC2)cc1F
InChIInChI=1S/C14H22FN3O2S/c1-11-3-4-12(9-13(11)15)14(10-16)17-5-7-18(8-6-17)21(2,19)20/h3-4,9,14H,5-8,10,16H2,1-2H3
InChIKeyJANDEGURZHURTJ-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.71
Rot. Bonds4

About 2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine

2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (PubChem CID 63649121) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
PubChem CID63649121
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(S(C)(=O)=O)CC2)cc1F
InChIInChI=1S/C14H22FN3O2S/c1-11-3-4-12(9-13(11)15)14(10-16)17-5-7-18(8-6-17)21(2,19)20/h3-4,9,14H,5-8,10,16H2,1-2H3
InChIKeyJANDEGURZHURTJ-UHFFFAOYSA-N
XLogP0.71
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine 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-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (CID 63649121) is 2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is Cc1ccc(C(CN)N2CCN(S(C)(=O)=O)CC2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
The InChIKey is JANDEGURZHURTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-11-3-4-12(9-13(11)15)14(10-16)17-5-7-18(8-6-17)21(2,19)20/h3-4,9,14H,5-8,10,16H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine?
2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine has a molecular weight of 315.41 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63649121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).