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

C16H18FNOS — CID 44593522

IUPAC1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine
SMILESCSc1ccc(Oc2ccc(F)cc2CN(C)C)cc1
InChIInChI=1S/C16H18FNOS/c1-18(2)11-12-10-13(17)4-9-16(12)19-14-5-7-15(20-3)8-6-14/h4-10H,11H2,1-3H3
InChIKeyFDNFLRXXOIWCQA-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.40
Rot. Bonds5

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

1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine (PubChem CID 44593522) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine
PubChem CID44593522
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine
SMILESCSc1ccc(Oc2ccc(F)cc2CN(C)C)cc1
InChIInChI=1S/C16H18FNOS/c1-18(2)11-12-10-13(17)4-9-16(12)19-14-5-7-15(20-3)8-6-14/h4-10H,11H2,1-3H3
InChIKeyFDNFLRXXOIWCQA-UHFFFAOYSA-N
XLogP4.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Uk-390957
CID 9884876
3-((Dimethylamino)methyl)-4-(3-methyl-4-(methylthio)phenoxy)benzenesulfonamide
CID 9969177
N,N-dimethyl-1-(2-(4-(methylthio)phenoxy)phenyl)methanamine
CID 9900179
(5-(4-(4-fluoropiperidin-1-yl)but-1-ynyl)-2-(4-(methylthio)phenoxy)phenyl)-N-methylmethanamine
CID 23625757
N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine
CID 24964157
N-methyl-N-(4-(3-((methylamino)methyl)-4-(4-(methylthio)phenoxy)phenyl)but-3-ynyl)cyclopropanamine
CID 44434165
{2-[(3-Fluorobenzyl)oxy]phenyl}(pyrrolidin-1-yl)methanethione
CID 974562
5-HT/NA Reuptake inhibitor-1
CID 826600
3-((Dimethylamino)methyl)-4-(3-fluoro-4-(methylthio)phenoxy)benzenesulfonamide
CID 9947569
(5-bromo-2-(4-(methylthio)phenoxy)phenyl)-N,N-dimethylmethanamine
CID 23378652
1-(5-methoxy-2-(4-(methylthio)phenoxy)phenyl)-N,N-dimethylmethanamine
CID 23378663
N,N-dimethyl-1-(5-methyl-2-(4-(methylthio)phenoxy)phenyl)methanamine
CID 23378746

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine (CID 44593522) is 1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine is CSc1ccc(Oc2ccc(F)cc2CN(C)C)cc1.
What is the InChIKey of 1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine?
The InChIKey is FDNFLRXXOIWCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-18(2)11-12-10-13(17)4-9-16(12)19-14-5-7-15(20-3)8-6-14/h4-10H,11H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine?
1-[5-fluoro-2-(4-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine has a molecular weight of 291.39 g/mol, XLogP of 4.40, 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-methylsulfanylphenoxy)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 44593522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).