3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine

C13H12Cl2N2O — CID 141396970

IUPAC3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine
SMILESC[C@@H](Oc1cccnc1N)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-8(12-9(14)4-2-5-10(12)15)18-11-6-3-7-17-13(11)16/h2-8H,1H3,(H2,16,17)/t8-/m1/s1
InChIKeyRDGBXTNLGPONID-MRVPVSSYSA-N
MW283.16 g/mol
LogP4.11
Rot. Bonds3

About 3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine

3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine (PubChem CID 141396970) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine
PubChem CID141396970
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine
SMILESC[C@@H](Oc1cccnc1N)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-8(12-9(14)4-2-5-10(12)15)18-11-6-3-7-17-13(11)16/h2-8H,1H3,(H2,16,17)/t8-/m1/s1
InChIKeyRDGBXTNLGPONID-MRVPVSSYSA-N
XLogP4.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine (CID 141396970) is 3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine is C[C@@H](Oc1cccnc1N)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine?
The InChIKey is RDGBXTNLGPONID-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8(12-9(14)4-2-5-10(12)15)18-11-6-3-7-17-13(11)16/h2-8H,1H3,(H2,16,17)/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine?
3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 283.16 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 141396970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).