2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine

C13H14BrNOS — CID 55021927

IUPAC2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESNCC(SCc1ccco1)c1ccccc1Br
InChIInChI=1S/C13H14BrNOS/c14-12-6-2-1-5-11(12)13(8-15)17-9-10-4-3-7-16-10/h1-7,13H,8-9,15H2
InChIKeyCYPXQDQTYLWCLG-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.98
Rot. Bonds5

About 2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine

2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine (PubChem CID 55021927) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
PubChem CID55021927
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESNCC(SCc1ccco1)c1ccccc1Br
InChIInChI=1S/C13H14BrNOS/c14-12-6-2-1-5-11(12)13(8-15)17-9-10-4-3-7-16-10/h1-7,13H,8-9,15H2
InChIKeyCYPXQDQTYLWCLG-UHFFFAOYSA-N
XLogP3.98
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine
CID 175169618
1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine
CID 144838750
N-[2-(2-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79448849
2-bromo-6-(furan-2-ylmethylsulfanyl)benzoic acid
CID 114888767
1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol
CID 63814324
furan-2-ylmethanamine;methane
CID 20976999
1-[2-(furan-2-ylmethylsulfanyl)phenyl]propan-1-ol
CID 112680064
2-(furan-2-ylmethylsulfanyl)benzaldehyde
CID 63803722
[3-bromo-5-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 102818582
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
(3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one
CID 2354028
N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine
CID 62576135

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine (CID 55021927) is 2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine is NCC(SCc1ccco1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The InChIKey is CYPXQDQTYLWCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c14-12-6-2-1-5-11(12)13(8-15)17-9-10-4-3-7-16-10/h1-7,13H,8-9,15H2.
What are the key properties of 2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine has a molecular weight of 312.23 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 55021927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).