1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine

C11H16FNOS — CID 79574558

IUPAC1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CSc1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-13-10(7-14-2)8-15-11-5-3-9(12)4-6-11/h3-6,10,13H,7-8H2,1-2H3
InChIKeyUKVPGGQNTHHHNG-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.15
Rot. Bonds6

About 1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine

1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine (PubChem CID 79574558) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
PubChem CID79574558
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CSc1ccc(F)cc1
InChIInChI=1S/C11H16FNOS/c1-13-10(7-14-2)8-15-11-5-3-9(12)4-6-11/h3-6,10,13H,7-8H2,1-2H3
InChIKeyUKVPGGQNTHHHNG-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 107511222
1-(4-fluorophenyl)sulfanyl-N-methylnonan-2-amine
CID 66071202
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169
1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66072440
1-(3,4-difluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 82910565
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992365
1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009286
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107884855
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107308752
5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine
CID 115646803
1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
CID 107511242

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine (CID 79574558) is 1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine is CNC(COC)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine?
The InChIKey is UKVPGGQNTHHHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-13-10(7-14-2)8-15-11-5-3-9(12)4-6-11/h3-6,10,13H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine?
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 79574558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).