2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine

C11H16FNOS — CID 116853483

IUPAC2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
SMILESCOc1ccc(F)cc1SC(C)(C)CN
InChIInChI=1S/C11H16FNOS/c1-11(2,7-13)15-10-6-8(12)4-5-9(10)14-3/h4-6H,7,13H2,1-3H3
InChIKeyZOZVNAXAXIMYFY-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.66
Rot. Bonds4

About 2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine

2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine (PubChem CID 116853483) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
PubChem CID116853483
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
SMILESCOc1ccc(F)cc1SC(C)(C)CN
InChIInChI=1S/C11H16FNOS/c1-11(2,7-13)15-10-6-8(12)4-5-9(10)14-3/h4-6H,7,13H2,1-3H3
InChIKeyZOZVNAXAXIMYFY-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853484
2-(2-methoxy-5-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853494
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 82111061
3-(5-chloro-2-methoxyphenyl)sulfanyl-3-methylbutan-1-amine
CID 117032753
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853493
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853482
3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 82534391
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine (CID 116853483) is 2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine is COc1ccc(F)cc1SC(C)(C)CN.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine?
The InChIKey is ZOZVNAXAXIMYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-11(2,7-13)15-10-6-8(12)4-5-9(10)14-3/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine?
2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine is sourced from PubChem (CID 116853483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).