2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine

C14H12BrF2NS — CID 66160984

IUPAC2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
SMILESNC(CSc1cccc(Br)c1)c1cccc(F)c1F
InChIInChI=1S/C14H12BrF2NS/c15-9-3-1-4-10(7-9)19-8-13(18)11-5-2-6-12(16)14(11)17/h1-7,13H,8,18H2
InChIKeyXSPPEICQSURBBG-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.52
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine

2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine (PubChem CID 66160984) has the molecular formula C14H12BrF2NS and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
PubChem CID66160984
Molecular FormulaC14H12BrF2NS
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
SMILESNC(CSc1cccc(Br)c1)c1cccc(F)c1F
InChIInChI=1S/C14H12BrF2NS/c15-9-3-1-4-10(7-9)19-8-13(18)11-5-2-6-12(16)14(11)17/h1-7,13H,8,18H2
InChIKeyXSPPEICQSURBBG-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
CID 66160199
2-(3-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanamine
CID 66161377
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethanamine
CID 66160196
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
1-(1-benzothiophen-7-yl)-2-(3-bromophenyl)sulfanylethanamine
CID 81154026
2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66160002
2-(2-chlorophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66141187
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine
CID 106762672
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine (CID 66160984) is 2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine is NC(CSc1cccc(Br)c1)c1cccc(F)c1F.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine?
The InChIKey is XSPPEICQSURBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NS/c15-9-3-1-4-10(7-9)19-8-13(18)11-5-2-6-12(16)14(11)17/h1-7,13H,8,18H2.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine?
2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine has a molecular weight of 344.22 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 66160984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).