N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine

C12H18FNO2S — CID 71683278

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H18FNO2S/c1-12(2,17(3,15)16)9-14-8-10-4-6-11(13)7-5-10/h4-7,14H,8-9H2,1-3H3
InChIKeyPQJSTJNOKZVBRX-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.74
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine

N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 71683278) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID71683278
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H18FNO2S/c1-12(2,17(3,15)16)9-14-8-10-4-6-11(13)7-5-10/h4-7,14H,8-9H2,1-3H3
InChIKeyPQJSTJNOKZVBRX-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine 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 N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine (CID 71683278) is N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine is CC(C)(CNCc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is PQJSTJNOKZVBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-12(2,17(3,15)16)9-14-8-10-4-6-11(13)7-5-10/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 71683278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).