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

C11H15ClFNS — CID 114855536

IUPAC1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H15ClFNS/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3
InChIKeyDSMPOUGBHVBZAF-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.97
Rot. Bonds5

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

1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (PubChem CID 114855536) has the molecular formula C11H15ClFNS and a molecular weight of 247.77 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
PubChem CID114855536
Molecular FormulaC11H15ClFNS
Molecular Weight247.77 g/mol
Exact Mass247.06
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H15ClFNS/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3
InChIKeyDSMPOUGBHVBZAF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 114855538
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
CID 114855831
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 103039975
1-(4-chloro-2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105190384
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 103048614
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105190357
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105117577
1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine
CID 114860033
1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 114855478
1-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (CID 114855536) is 1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is CNC(CSC)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The InChIKey is DSMPOUGBHVBZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNS/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
1-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 114855536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).