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

C11H15F2NOS — CID 107511222

IUPAC1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CSc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NOS/c1-14-9(6-15-2)7-16-11-4-3-8(12)5-10(11)13/h3-5,9,14H,6-7H2,1-2H3
InChIKeyKNZOYEJWDMHNOK-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.29
Rot. Bonds6

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

1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine (PubChem CID 107511222) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
PubChem CID107511222
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CSc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NOS/c1-14-9(6-15-2)7-16-11-4-3-8(12)5-10(11)13/h3-5,9,14H,6-7H2,1-2H3
InChIKeyKNZOYEJWDMHNOK-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558
2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850779
1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668
1-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66051929
1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol
CID 63931345
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
CID 64803462
N-[2-(2,4-difluorophenyl)sulfanylethyl]-2-ethoxyethanamine
CID 55092391
2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
CID 114094254
2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613499

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine (CID 107511222) is 1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine is CNC(COC)CSc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine?
The InChIKey is KNZOYEJWDMHNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-14-9(6-15-2)7-16-11-4-3-8(12)5-10(11)13/h3-5,9,14H,6-7H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine?
1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine has a molecular weight of 247.31 g/mol, XLogP of 2.29, 6 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-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 107511222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).