2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine

C13H12Cl2N2O — CID 80639795

IUPAC2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(Oc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C13H12Cl2N2O/c14-10-2-1-3-11(13(10)15)18-12-5-4-9(6-7-16)8-17-12/h1-5,8H,6-7,16H2
InChIKeyBOHYEUFIKCJWDO-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.68
Rot. Bonds4

About 2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine

2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine (PubChem CID 80639795) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine
PubChem CID80639795
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(Oc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C13H12Cl2N2O/c14-10-2-1-3-11(13(10)15)18-12-5-4-9(6-7-16)8-17-12/h1-5,8H,6-7,16H2
InChIKeyBOHYEUFIKCJWDO-UHFFFAOYSA-N
XLogP3.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2,3-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 80640428
2-[6-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 80639711
2-[6-(2-propan-2-ylphenoxy)-3-pyridinyl]ethanamine
CID 80640158
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
CID 63815236
2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine
CID 80640422
5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
CID 107089215
2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine
CID 80639888
N-(2-amino-1-cyclopropylethyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 119614592
6-(2,3-dichlorophenoxy)pyridine-2,3-diamine
CID 79826072
[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629406
2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
CID 80640150
2-[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 80640346

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine (CID 80639795) is 2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine is NCCc1ccc(Oc2cccc(Cl)c2Cl)nc1.
What is the InChIKey of 2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine?
The InChIKey is BOHYEUFIKCJWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-10-2-1-3-11(13(10)15)18-12-5-4-9(6-7-16)8-17-12/h1-5,8H,6-7,16H2.
What are the key properties of 2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine?
2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine has a molecular weight of 283.16 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80639795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).