[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine

C15H16FNO3S — CID 64763561

IUPAC[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(OCc2cc(F)ccc2CN)cc1
InChIInChI=1S/C15H16FNO3S/c1-21(18,19)15-6-4-14(5-7-15)20-10-12-8-13(16)3-2-11(12)9-17/h2-8H,9-10,17H2,1H3
InChIKeyLHALPBNNGVMGPK-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.27
Rot. Bonds5

About [4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine

[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine (PubChem CID 64763561) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is [4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine
PubChem CID64763561
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(OCc2cc(F)ccc2CN)cc1
InChIInChI=1S/C15H16FNO3S/c1-21(18,19)15-6-4-14(5-7-15)20-10-12-8-13(16)3-2-11(12)9-17/h2-8H,9-10,17H2,1H3
InChIKeyLHALPBNNGVMGPK-UHFFFAOYSA-N
XLogP2.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine (CID 64763561) is [4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine is CS(=O)(=O)c1ccc(OCc2cc(F)ccc2CN)cc1.
What is the InChIKey of [4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine?
The InChIKey is LHALPBNNGVMGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-21(18,19)15-6-4-14(5-7-15)20-10-12-8-13(16)3-2-11(12)9-17/h2-8H,9-10,17H2,1H3.
What are the key properties of [4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine?
[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine has a molecular weight of 309.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 64763561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).