2-(2,4,6-trichlorophenoxy)ethanamine

C8H8Cl3NO — CID 7139321

IUPAC2-(2,4,6-trichlorophenoxy)ethanamine
SMILESNCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl3NO/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4H,1-2,12H2
InChIKeySUSCJRQKCYABMX-UHFFFAOYSA-N
MW240.52 g/mol
LogP2.98
Rot. Bonds3

About 2-(2,4,6-trichlorophenoxy)ethanamine

2-(2,4,6-trichlorophenoxy)ethanamine (PubChem CID 7139321) has the molecular formula C8H8Cl3NO and a molecular weight of 240.52 g/mol. Its IUPAC name is 2-(2,4,6-trichlorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(2,4,6-trichlorophenoxy)ethanamine
PubChem CID7139321
Molecular FormulaC8H8Cl3NO
Molecular Weight240.52 g/mol
Exact Mass238.97
IUPAC Name2-(2,4,6-trichlorophenoxy)ethanamine
SMILESNCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl3NO/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4H,1-2,12H2
InChIKeySUSCJRQKCYABMX-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trichlorophenoxy)ethanamine?
The IUPAC name of 2-(2,4,6-trichlorophenoxy)ethanamine (CID 7139321) is 2-(2,4,6-trichlorophenoxy)ethanamine.
What is the SMILES notation for 2-(2,4,6-trichlorophenoxy)ethanamine?
The canonical SMILES for 2-(2,4,6-trichlorophenoxy)ethanamine is NCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4,6-trichlorophenoxy)ethanamine?
The InChIKey is SUSCJRQKCYABMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3NO/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4H,1-2,12H2.
What are the key properties of 2-(2,4,6-trichlorophenoxy)ethanamine?
2-(2,4,6-trichlorophenoxy)ethanamine has a molecular weight of 240.52 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trichlorophenoxy)ethanamine is sourced from PubChem (CID 7139321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).