1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine

C8H10Cl2N2O — CID 119082698

IUPAC1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine
SMILESCC(N)COc1c(Cl)cncc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-5(11)4-13-8-6(9)2-12-3-7(8)10/h2-3,5H,4,11H2,1H3
InChIKeyKEHSVHVEPUQIJI-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.11
Rot. Bonds3

About 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine

1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine (PubChem CID 119082698) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine.

Molecular Properties

Compound Name1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine
PubChem CID119082698
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine
SMILESCC(N)COc1c(Cl)cncc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-5(11)4-13-8-6(9)2-12-3-7(8)10/h2-3,5H,4,11H2,1H3
InChIKeyKEHSVHVEPUQIJI-UHFFFAOYSA-N
XLogP2.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine?
The IUPAC name of 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine (CID 119082698) is 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine.
What is the SMILES notation for 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine?
The canonical SMILES for 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine is CC(N)COc1c(Cl)cncc1Cl.
What is the InChIKey of 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine?
The InChIKey is KEHSVHVEPUQIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-5(11)4-13-8-6(9)2-12-3-7(8)10/h2-3,5H,4,11H2,1H3.
What are the key properties of 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine?
1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine has a molecular weight of 221.09 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine is sourced from PubChem (CID 119082698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).