2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine

C12H12BrNOS — CID 66160002

IUPAC2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
SMILESNC(CSc1cccc(Br)c1)c1ccoc1
InChIInChI=1S/C12H12BrNOS/c13-10-2-1-3-11(6-10)16-8-12(14)9-4-5-15-7-9/h1-7,12H,8,14H2
InChIKeyJJERIAKZTLKQFS-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.83
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine

2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine (PubChem CID 66160002) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
PubChem CID66160002
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
SMILESNC(CSc1cccc(Br)c1)c1ccoc1
InChIInChI=1S/C12H12BrNOS/c13-10-2-1-3-11(6-10)16-8-12(14)9-4-5-15-7-9/h1-7,12H,8,14H2
InChIKeyJJERIAKZTLKQFS-UHFFFAOYSA-N
XLogP3.83
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine
CID 105238462
1-(furan-3-yl)-2-phenylsulfanylethanamine
CID 65142361
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethanamine
CID 66160196
2-(3-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanamine
CID 66161377
2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66160984
1-(furan-3-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065391
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806
2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66159604
2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
CID 66160199
(3-bromophenyl)-(furan-3-yl)methanamine;methanethione
CID 143594440
2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine
CID 79699921
2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine
CID 66161180

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine (CID 66160002) is 2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine is NC(CSc1cccc(Br)c1)c1ccoc1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine?
The InChIKey is JJERIAKZTLKQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c13-10-2-1-3-11(6-10)16-8-12(14)9-4-5-15-7-9/h1-7,12H,8,14H2.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine?
2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine has a molecular weight of 298.21 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine is sourced from PubChem (CID 66160002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).