1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine

C16H18FNO2S — CID 44579403

IUPAC1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(F)ccc1Oc1ccc(S(C)=O)cc1
InChIInChI=1S/C16H18FNO2S/c1-18(2)11-12-10-13(17)4-9-16(12)20-14-5-7-15(8-6-14)21(3)19/h4-10H,11H2,1-3H3
InChIKeyHQGXPNMHFCEADD-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.42
Rot. Bonds5

About 1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine

1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine (PubChem CID 44579403) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine
PubChem CID44579403
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(F)ccc1Oc1ccc(S(C)=O)cc1
InChIInChI=1S/C16H18FNO2S/c1-18(2)11-12-10-13(17)4-9-16(12)20-14-5-7-15(8-6-14)21(3)19/h4-10H,11H2,1-3H3
InChIKeyHQGXPNMHFCEADD-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine (CID 44579403) is 1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1cc(F)ccc1Oc1ccc(S(C)=O)cc1.
What is the InChIKey of 1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine?
The InChIKey is HQGXPNMHFCEADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-18(2)11-12-10-13(17)4-9-16(12)20-14-5-7-15(8-6-14)21(3)19/h4-10H,11H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine?
1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine has a molecular weight of 307.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-methylsulfinylphenoxy)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 44579403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).