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

C14H13BrFNS — CID 62805510

IUPAC2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine
SMILESNCC(Sc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C14H13BrFNS/c15-11-4-2-6-13(8-11)18-14(9-17)10-3-1-5-12(16)7-10/h1-8,14H,9,17H2
InChIKeyDVDHYXYYGVEUFO-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.38
Rot. Bonds4

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

2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine (PubChem CID 62805510) has the molecular formula C14H13BrFNS and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine
PubChem CID62805510
Molecular FormulaC14H13BrFNS
Molecular Weight326.23 g/mol
Exact Mass324.99
IUPAC Name2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine
SMILESNCC(Sc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C14H13BrFNS/c15-11-4-2-6-13(8-11)18-14(9-17)10-3-1-5-12(16)7-10/h1-8,14H,9,17H2
InChIKeyDVDHYXYYGVEUFO-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine (CID 62805510) is 2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine is NCC(Sc1cccc(Br)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine?
The InChIKey is DVDHYXYYGVEUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNS/c15-11-4-2-6-13(8-11)18-14(9-17)10-3-1-5-12(16)7-10/h1-8,14H,9,17H2.
What are the key properties of 2-(3-bromophenyl)sulfanyl-2-(3-fluorophenyl)ethanamine?
2-(3-bromophenyl)sulfanyl-2-(3-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-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 62805510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).