2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine

C13H14BrNOS — CID 55091937

IUPAC2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine
SMILESBrc1ccccc1SCCNCc1ccoc1
InChIInChI=1S/C13H14BrNOS/c14-12-3-1-2-4-13(12)17-8-6-15-9-11-5-7-16-10-11/h1-5,7,10,15H,6,8-9H2
InChIKeyKNWLLFMLSIJAMI-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.92
Rot. Bonds6

About 2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine

2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine (PubChem CID 55091937) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine
PubChem CID55091937
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine
SMILESBrc1ccccc1SCCNCc1ccoc1
InChIInChI=1S/C13H14BrNOS/c14-12-3-1-2-4-13(12)17-8-6-15-9-11-5-7-16-10-11/h1-5,7,10,15H,6,8-9H2
InChIKeyKNWLLFMLSIJAMI-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105238115
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
2-(3,4-difluorophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine
CID 62577367
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
3-[2-(furan-3-ylmethylamino)ethylsulfanyl]propan-1-ol;hydrochloride
CID 115616098
4-[[4-(2-bromophenyl)sulfanylbutylamino]methyl]benzoic acid
CID 122031573
N-benzyl-2-(2-methylphenyl)sulfanylethanamine
CID 55091993
2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol
CID 113224538
2-(5-bromofuran-2-yl)-N-(furan-3-ylmethyl)ethanamine
CID 115732885
5-(furan-3-ylmethylamino)pentanenitrile
CID 115611430
N-[2-(2-bromophenyl)sulfanylethyl]butan-2-amine
CID 62576173
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine (CID 55091937) is 2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine is Brc1ccccc1SCCNCc1ccoc1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is KNWLLFMLSIJAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c14-12-3-1-2-4-13(12)17-8-6-15-9-11-5-7-16-10-11/h1-5,7,10,15H,6,8-9H2.
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine?
2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 312.23 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 55091937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).