2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine

C14H11Cl4N — CID 134630613

IUPAC2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine
SMILESNCCc1cccc(Cl)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl4N/c15-9-6-11(17)14(12(18)7-9)13-8(4-5-19)2-1-3-10(13)16/h1-3,6-7H,4-5,19H2
InChIKeyMXGXLUFHTUFXIW-UHFFFAOYSA-N
MW335.06 g/mol
LogP5.47
Rot. Bonds3

About 2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine

2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine (PubChem CID 134630613) has the molecular formula C14H11Cl4N and a molecular weight of 335.06 g/mol. Its IUPAC name is 2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine
PubChem CID134630613
Molecular FormulaC14H11Cl4N
Molecular Weight335.06 g/mol
Exact Mass332.96
IUPAC Name2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine
SMILESNCCc1cccc(Cl)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl4N/c15-9-6-11(17)14(12(18)7-9)13-8(4-5-19)2-1-3-10(13)16/h1-3,6-7H,4-5,19H2
InChIKeyMXGXLUFHTUFXIW-UHFFFAOYSA-N
XLogP5.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.06
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine (CID 134630613) is 2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine is NCCc1cccc(Cl)c1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine?
The InChIKey is MXGXLUFHTUFXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4N/c15-9-6-11(17)14(12(18)7-9)13-8(4-5-19)2-1-3-10(13)16/h1-3,6-7H,4-5,19H2.
What are the key properties of 2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine?
2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine has a molecular weight of 335.06 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine is sourced from PubChem (CID 134630613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).