1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine

C15H18BrNOS — CID 43779085

IUPAC1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESCSCc1ccc(CNC(C)c2cccc(Br)c2)o1
InChIInChI=1S/C15H18BrNOS/c1-11(12-4-3-5-13(16)8-12)17-9-14-6-7-15(18-14)10-19-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeyFEHIWMXXYRIDND-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.76
Rot. Bonds6

About 1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine

1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 43779085) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID43779085
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESCSCc1ccc(CNC(C)c2cccc(Br)c2)o1
InChIInChI=1S/C15H18BrNOS/c1-11(12-4-3-5-13(16)8-12)17-9-14-6-7-15(18-14)10-19-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeyFEHIWMXXYRIDND-UHFFFAOYSA-N
XLogP4.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81364045
(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 81372648
1-(3-bromophenyl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 43779045
(1S)-1-(4-methoxyphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81370186
[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 81364609
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103855059
6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 51963768
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
(1R)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 29187702
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 17056405
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine (CID 43779085) is 1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine is CSCc1ccc(CNC(C)c2cccc(Br)c2)o1.
What is the InChIKey of 1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is FEHIWMXXYRIDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-11(12-4-3-5-13(16)8-12)17-9-14-6-7-15(18-14)10-19-2/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 43779085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).