1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine

C11H15ClFNS — CID 103039975

IUPAC1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNS/c1-14-9(7-15-2)5-8-3-4-11(13)10(12)6-8/h3-4,6,9,14H,5,7H2,1-2H3
InChIKeyCFQOKAYPBXTQEH-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.97
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine

1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (PubChem CID 103039975) has the molecular formula C11H15ClFNS and a molecular weight of 247.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
PubChem CID103039975
Molecular FormulaC11H15ClFNS
Molecular Weight247.77 g/mol
Exact Mass247.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNS/c1-14-9(7-15-2)5-8-3-4-11(13)10(12)6-8/h3-4,6,9,14H,5,7H2,1-2H3
InChIKeyCFQOKAYPBXTQEH-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 103043196
1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
CID 103039854
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine
CID 82909676
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
1-(4-chloro-3-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 107884766
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 103039859
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107884855
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107884664
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 107884509

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (CID 103039975) is 1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is CNC(CSC)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The InChIKey is CFQOKAYPBXTQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNS/c1-14-9(7-15-2)5-8-3-4-11(13)10(12)6-8/h3-4,6,9,14H,5,7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine has a molecular weight of 247.77 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 103039975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).