1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine

C10H14Cl2N2O — CID 79780789

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine
SMILESCCCOCC(N)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2N2O/c1-2-3-15-6-9(13)10-8(12)4-7(11)5-14-10/h4-5,9H,2-3,6,13H2,1H3
InChIKeySKIURYCLJRAXFR-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.81
Rot. Bonds5

About 1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine

1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine (PubChem CID 79780789) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine
PubChem CID79780789
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine
SMILESCCCOCC(N)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2N2O/c1-2-3-15-6-9(13)10-8(12)4-7(11)5-14-10/h4-5,9H,2-3,6,13H2,1H3
InChIKeySKIURYCLJRAXFR-UHFFFAOYSA-N
XLogP2.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine
CID 79016126
(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol
CID 79781093
1-(3,5-dichloro-2-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79780214
2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 106868543
1-(3,5-dimethoxypyrazin-2-yl)-2-propoxyethanamine
CID 107946647
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 79780092
1-(4-chlorophenoxy)-3-propoxypropan-2-amine
CID 105165280
1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 79783320
1-(3,5-dichloro-2-pyridinyl)pent-4-en-1-amine
CID 79779879
1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine
CID 83182559
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780623
1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050223

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine (CID 79780789) is 1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine is CCCOCC(N)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine?
The InChIKey is SKIURYCLJRAXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-2-3-15-6-9(13)10-8(12)4-7(11)5-14-10/h4-5,9H,2-3,6,13H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine?
1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine has a molecular weight of 249.14 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine is sourced from PubChem (CID 79780789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).