1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine

C11H15F2NS — CID 105406084

IUPAC1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NS/c1-14-11(7-15-2)5-8-3-9(12)6-10(13)4-8/h3-4,6,11,14H,5,7H2,1-2H3
InChIKeyBVCRUAMYJAKHEK-UHFFFAOYSA-N
MW231.31 g/mol
LogP2.46
Rot. Bonds5

About 1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine

1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (PubChem CID 105406084) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
PubChem CID105406084
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NS/c1-14-11(7-15-2)5-8-3-9(12)6-10(13)4-8/h3-4,6,11,14H,5,7H2,1-2H3
InChIKeyBVCRUAMYJAKHEK-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 105406467
1-(3-bromo-5-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105169473
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 103039975
1-(3-bromo-5-fluorophenyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79709704
N-[(3,5-difluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899776
1-tert-butylsulfanyl-3-(3,5-difluorophenyl)-N-propylpropan-2-amine
CID 105406268
1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 79700055
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
3-[(3,5-difluorophenyl)methylamino]-4-methylsulfanylbutan-1-ol
CID 109482085
N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 62603339
1-(3,5-difluorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 105406250

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (CID 105406084) is 1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is CNC(CSC)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The InChIKey is BVCRUAMYJAKHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-14-11(7-15-2)5-8-3-9(12)6-10(13)4-8/h3-4,6,11,14H,5,7H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine has a molecular weight of 231.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 105406084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).