1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine

C12H10Cl3NO — CID 62499233

IUPAC1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C12H10Cl3NO/c1-6(16)10-2-3-11(17-10)12-8(14)4-7(13)5-9(12)15/h2-6H,16H2,1H3
InChIKeyIXCJIUZGYGOBES-UHFFFAOYSA-N
MW290.58 g/mol
LogP4.93
Rot. Bonds2

About 1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine

1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine (PubChem CID 62499233) has the molecular formula C12H10Cl3NO and a molecular weight of 290.58 g/mol. Its IUPAC name is 1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine
PubChem CID62499233
Molecular FormulaC12H10Cl3NO
Molecular Weight290.58 g/mol
Exact Mass288.98
IUPAC Name1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C12H10Cl3NO/c1-6(16)10-2-3-11(17-10)12-8(14)4-7(13)5-9(12)15/h2-6H,16H2,1H3
InChIKeyIXCJIUZGYGOBES-UHFFFAOYSA-N
XLogP4.93
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.58
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine?
The IUPAC name of 1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine (CID 62499233) is 1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine is CC(N)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of 1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine?
The InChIKey is IXCJIUZGYGOBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NO/c1-6(16)10-2-3-11(17-10)12-8(14)4-7(13)5-9(12)15/h2-6H,16H2,1H3.
What are the key properties of 1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine?
1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine has a molecular weight of 290.58 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine is sourced from PubChem (CID 62499233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).