1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine

C10H14FNOS — CID 79574436

IUPAC1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine
SMILESCOCC(N)CSc1ccccc1F
InChIInChI=1S/C10H14FNOS/c1-13-6-8(12)7-14-10-5-3-2-4-9(10)11/h2-5,8H,6-7,12H2,1H3
InChIKeySYKNKKQXKLBYCL-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds5

About 1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine

1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine (PubChem CID 79574436) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine
PubChem CID79574436
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine
SMILESCOCC(N)CSc1ccccc1F
InChIInChI=1S/C10H14FNOS/c1-13-6-8(12)7-14-10-5-3-2-4-9(10)11/h2-5,8H,6-7,12H2,1H3
InChIKeySYKNKKQXKLBYCL-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine (CID 79574436) is 1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine is COCC(N)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine?
The InChIKey is SYKNKKQXKLBYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-13-6-8(12)7-14-10-5-3-2-4-9(10)11/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine?
1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine has a molecular weight of 215.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-methoxypropan-2-amine is sourced from PubChem (CID 79574436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).