2-(3,4-dichlorophenoxy)ethanamine

C8H9Cl2NO — CID 18542939

IUPAC2-(3,4-dichlorophenoxy)ethanamine
SMILESNCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,3-4,11H2
InChIKeyRXPLSUNVXZROEH-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.33
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)ethanamine

2-(3,4-dichlorophenoxy)ethanamine (PubChem CID 18542939) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)ethanamine
PubChem CID18542939
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name2-(3,4-dichlorophenoxy)ethanamine
SMILESNCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,3-4,11H2
InChIKeyRXPLSUNVXZROEH-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenoxy)ethanamine (CID 18542939) is 2-(3,4-dichlorophenoxy)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)ethanamine is NCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)ethanamine?
The InChIKey is RXPLSUNVXZROEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,3-4,11H2.
What are the key properties of 2-(3,4-dichlorophenoxy)ethanamine?
2-(3,4-dichlorophenoxy)ethanamine has a molecular weight of 206.07 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)ethanamine is sourced from PubChem (CID 18542939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).