1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine

C10H13F2NOS — CID 107511220

IUPAC1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine
SMILESCOCC(N)CSc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NOS/c1-14-5-8(13)6-15-10-3-2-7(11)4-9(10)12/h2-4,8H,5-6,13H2,1H3
InChIKeyVMNJGQKTOPJFKB-UHFFFAOYSA-N
MW233.28 g/mol
LogP2.03
Rot. Bonds5

About 1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine

1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine (PubChem CID 107511220) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine
PubChem CID107511220
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC Name1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine
SMILESCOCC(N)CSc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NOS/c1-14-5-8(13)6-15-10-3-2-7(11)4-9(10)12/h2-4,8H,5-6,13H2,1H3
InChIKeyVMNJGQKTOPJFKB-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Phenylthio)-2-aminopropane
CID 150957
4-Phenylthiobut-2-ylamine
CID 15889487
1-[(3-Aminopropyl)sulfanyl]-4-fluorobenzene
CID 2118103
2-(3-Fluoro-phenylsulfanyl)-ethylamine
CID 66568529
2-(4-Fluoro-phenylsulfanyl)-ethylamine
CID 3614659
1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 10081478
(2S)-1-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 13062520
(2S)-1-phenylsulfanylpropan-2-amine
CID 13628020
(R)-1-Phenylthio-2-propylamine
CID 13628021
1-Amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 22437795
3-(2-Fluorophenyl)sulfanylpropan-1-amine
CID 24694588
(2S)-1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 28409457

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine (CID 107511220) is 1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine is COCC(N)CSc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine?
The InChIKey is VMNJGQKTOPJFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c1-14-5-8(13)6-15-10-3-2-7(11)4-9(10)12/h2-4,8H,5-6,13H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine?
1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine has a molecular weight of 233.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfanyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107511220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).