1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine

C16H16BrClFNS — CID 79700055

IUPAC1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Cl)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrClFNS/c1-20-14(8-11-6-12(17)9-13(19)7-11)10-21-16-5-3-2-4-15(16)18/h2-7,9,14,20H,8,10H2,1H3
InChIKeyOFMPWQSAAGXATD-UHFFFAOYSA-N
MW388.73 g/mol
LogP5.16
Rot. Bonds6

About 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine

1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 79700055) has the molecular formula C16H16BrClFNS and a molecular weight of 388.73 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID79700055
Molecular FormulaC16H16BrClFNS
Molecular Weight388.73 g/mol
Exact Mass386.99
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Cl)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrClFNS/c1-20-14(8-11-6-12(17)9-13(19)7-11)10-21-16-5-3-2-4-15(16)18/h2-7,9,14,20H,8,10H2,1H3
InChIKeyOFMPWQSAAGXATD-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.73
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-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-(2-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66140357
[1-(3-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-yl]hydrazine
CID 105238111
1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 103048819
1-(2-chlorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66139977
1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 79699824
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
1-(3-bromo-5-fluorophenyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79709704
1-(4-chlorophenyl)sulfanyl-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 105406467
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034
1-(3-bromo-5-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105169473
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine (CID 79700055) is 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1ccccc1Cl)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is OFMPWQSAAGXATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNS/c1-20-14(8-11-6-12(17)9-13(19)7-11)10-21-16-5-3-2-4-15(16)18/h2-7,9,14,20H,8,10H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 388.73 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 79700055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).