2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine

C14H13BrFNS — CID 66160199

IUPAC2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
SMILESNC(CSc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C14H13BrFNS/c15-10-4-3-5-11(8-10)18-9-14(17)12-6-1-2-7-13(12)16/h1-8,14H,9,17H2
InChIKeyUVRINAODYPLCBU-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.38
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine

2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine (PubChem CID 66160199) has the molecular formula C14H13BrFNS and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
PubChem CID66160199
Molecular FormulaC14H13BrFNS
Molecular Weight326.23 g/mol
Exact Mass324.99
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
SMILESNC(CSc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C14H13BrFNS/c15-10-4-3-5-11(8-10)18-9-14(17)12-6-1-2-7-13(12)16/h1-8,14H,9,17H2
InChIKeyUVRINAODYPLCBU-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66160984
2-(3-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanamine
CID 66161377
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
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66070856
2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66160002
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine (CID 66160199) is 2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine is NC(CSc1cccc(Br)c1)c1ccccc1F.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine?
The InChIKey is UVRINAODYPLCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNS/c15-10-4-3-5-11(8-10)18-9-14(17)12-6-1-2-7-13(12)16/h1-8,14H,9,17H2.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine?
2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine has a molecular weight of 326.23 g/mol, XLogP of 4.38, 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-fluorophenyl)ethanamine is sourced from PubChem (CID 66160199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).