1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine

C16H16BrClFNS — CID 102619034

IUPAC1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H16BrClFNS/c1-20-13(9-11-8-12(19)6-7-15(11)18)10-21-16-5-3-2-4-14(16)17/h2-8,13,20H,9-10H2,1H3
InChIKeyHYBOEPUWYGUKCM-UHFFFAOYSA-N
MW388.73 g/mol
LogP5.16
Rot. Bonds6

About 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine

1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 102619034) has the molecular formula C16H16BrClFNS and a molecular weight of 388.73 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
PubChem CID102619034
Molecular FormulaC16H16BrClFNS
Molecular Weight388.73 g/mol
Exact Mass386.99
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H16BrClFNS/c1-20-13(9-11-8-12(19)6-7-15(11)18)10-21-16-5-3-2-4-14(16)17/h2-8,13,20H,9-10H2,1H3
InChIKeyHYBOEPUWYGUKCM-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

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105377848
1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054
[1-(2-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105238200
1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 103048819
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one
CID 102617725
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine (CID 102619034) is 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine is CNC(CSc1ccccc1Br)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is HYBOEPUWYGUKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNS/c1-20-13(9-11-8-12(19)6-7-15(11)18)10-21-16-5-3-2-4-14(16)17/h2-8,13,20H,9-10H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine?
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-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-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 102619034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).