2-pyridin-4-yloxyethanamine;dihydrochloride

C7H12Cl2N2O — CID 84819422

IUPAC2-pyridin-4-yloxyethanamine;dihydrochloride
SMILESCl.Cl.NCCOc1ccncc1
InChIInChI=1S/C7H10N2O.2ClH/c8-3-6-10-7-1-4-9-5-2-7;;/h1-2,4-5H,3,6,8H2;2*1H
InChIKeyIKYMBVQWEQOPCD-UHFFFAOYSA-N
MW211.09 g/mol
LogP1.26
Rot. Bonds3

About 2-pyridin-4-yloxyethanamine;dihydrochloride

2-pyridin-4-yloxyethanamine;dihydrochloride (PubChem CID 84819422) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 2-pyridin-4-yloxyethanamine;dihydrochloride.

Molecular Properties

Compound Name2-pyridin-4-yloxyethanamine;dihydrochloride
PubChem CID84819422
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name2-pyridin-4-yloxyethanamine;dihydrochloride
SMILESCl.Cl.NCCOc1ccncc1
InChIInChI=1S/C7H10N2O.2ClH/c8-3-6-10-7-1-4-9-5-2-7;;/h1-2,4-5H,3,6,8H2;2*1H
InChIKeyIKYMBVQWEQOPCD-UHFFFAOYSA-N
XLogP1.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yloxyethanamine;dihydrochloride?
The IUPAC name of 2-pyridin-4-yloxyethanamine;dihydrochloride (CID 84819422) is 2-pyridin-4-yloxyethanamine;dihydrochloride.
What is the SMILES notation for 2-pyridin-4-yloxyethanamine;dihydrochloride?
The canonical SMILES for 2-pyridin-4-yloxyethanamine;dihydrochloride is Cl.Cl.NCCOc1ccncc1.
What is the InChIKey of 2-pyridin-4-yloxyethanamine;dihydrochloride?
The InChIKey is IKYMBVQWEQOPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-3-6-10-7-1-4-9-5-2-7;;/h1-2,4-5H,3,6,8H2;2*1H.
What are the key properties of 2-pyridin-4-yloxyethanamine;dihydrochloride?
2-pyridin-4-yloxyethanamine;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yloxyethanamine;dihydrochloride is sourced from PubChem (CID 84819422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).