2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine

C14H13BrFNS — CID 66056474

IUPAC2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
SMILESNC(CSc1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C14H13BrFNS/c15-11-4-6-13(7-5-11)18-9-14(17)10-2-1-3-12(16)8-10/h1-8,14H,9,17H2
InChIKeyIWADVIPZTAYUKC-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.38
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine

2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine (PubChem CID 66056474) has the molecular formula C14H13BrFNS and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
PubChem CID66056474
Molecular FormulaC14H13BrFNS
Molecular Weight326.23 g/mol
Exact Mass324.99
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
SMILESNC(CSc1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C14H13BrFNS/c15-11-4-6-13(7-5-11)18-9-14(17)10-2-1-3-12(16)8-10/h1-8,14H,9,17H2
InChIKeyIWADVIPZTAYUKC-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-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 66056882
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 66055898
2-(4-bromophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544590
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-fluorophenyl)ethanamine
CID 107525232
2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524316
1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66056883
2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524758
2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine
CID 116544598
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethanamine
CID 66160196
[1-(3-fluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
CID 105236697

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine (CID 66056474) is 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine is NC(CSc1ccc(Br)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The InChIKey is IWADVIPZTAYUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNS/c15-11-4-6-13(7-5-11)18-9-14(17)10-2-1-3-12(16)8-10/h1-8,14H,9,17H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
2-(4-bromophenyl)sulfanyl-1-(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-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 66056474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).