1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol

C15H16Cl2N2O2 — CID 110906838

IUPAC1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccccn1)COc1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2O2/c16-13-5-3-6-14(15(13)17)21-10-12(20)9-18-8-11-4-1-2-7-19-11/h1-7,12,18,20H,8-10H2
InChIKeyGXRBYHUHLPOCND-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.92
Rot. Bonds7

About 1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol

1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol (PubChem CID 110906838) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
PubChem CID110906838
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccccn1)COc1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2O2/c16-13-5-3-6-14(15(13)17)21-10-12(20)9-18-8-11-4-1-2-7-19-11/h1-7,12,18,20H,8-10H2
InChIKeyGXRBYHUHLPOCND-UHFFFAOYSA-N
XLogP2.92
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol (CID 110906838) is 1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol is OC(CNCc1ccccn1)COc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The InChIKey is GXRBYHUHLPOCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c16-13-5-3-6-14(15(13)17)21-10-12(20)9-18-8-11-4-1-2-7-19-11/h1-7,12,18,20H,8-10H2.
What are the key properties of 1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol has a molecular weight of 327.21 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 110906838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).