1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine

C15H18BrNOS — CID 66230095

IUPAC1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine
SMILESCCC(N)CSCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H18BrNOS/c1-2-13(17)9-19-10-14-7-8-15(18-14)11-3-5-12(16)6-4-11/h3-8,13H,2,9-10,17H2,1H3
InChIKeyCBBDQVIIPPBVLV-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.68
Rot. Bonds6

About 1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine

1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine (PubChem CID 66230095) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine.

Molecular Properties

Compound Name1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine
PubChem CID66230095
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine
SMILESCCC(N)CSCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H18BrNOS/c1-2-13(17)9-19-10-14-7-8-15(18-14)11-3-5-12(16)6-4-11/h3-8,13H,2,9-10,17H2,1H3
InChIKeyCBBDQVIIPPBVLV-UHFFFAOYSA-N
XLogP4.68
TPSA39.16 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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine?
The IUPAC name of 1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine (CID 66230095) is 1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine.
What is the SMILES notation for 1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine?
The canonical SMILES for 1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine is CCC(N)CSCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine?
The InChIKey is CBBDQVIIPPBVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-2-13(17)9-19-10-14-7-8-15(18-14)11-3-5-12(16)6-4-11/h3-8,13H,2,9-10,17H2,1H3.
What are the key properties of 1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine?
1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine has a molecular weight of 340.29 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine is sourced from PubChem (CID 66230095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).