(1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride

C8H14Cl2N2O — CID 138040096

IUPAC(1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride
SMILESCOC[C@@H](N)c1ccccn1.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-11-6-7(9)8-4-2-3-5-10-8;;/h2-5,7H,6,9H2,1H3;2*1H/t7-;;/m1../s1
InChIKeyCTPFUCMNHWDGER-XCUBXKJBSA-N
MW225.12 g/mol
LogP1.57
Rot. Bonds3

About (1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride

(1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride (PubChem CID 138040096) has the molecular formula C8H14Cl2N2O and a molecular weight of 225.12 g/mol. Its IUPAC name is (1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name(1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride
PubChem CID138040096
Molecular FormulaC8H14Cl2N2O
Molecular Weight225.12 g/mol
Exact Mass224.05
IUPAC Name(1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride
SMILESCOC[C@@H](N)c1ccccn1.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-11-6-7(9)8-4-2-3-5-10-8;;/h2-5,7H,6,9H2,1H3;2*1H/t7-;;/m1../s1
InChIKeyCTPFUCMNHWDGER-XCUBXKJBSA-N
XLogP1.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride?
The IUPAC name of (1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride (CID 138040096) is (1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride.
What is the SMILES notation for (1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride?
The canonical SMILES for (1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride is COC[C@@H](N)c1ccccn1.Cl.Cl.
What is the InChIKey of (1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride?
The InChIKey is CTPFUCMNHWDGER-XCUBXKJBSA-N. The full InChI is InChI=1S/C8H12N2O.2ClH/c1-11-6-7(9)8-4-2-3-5-10-8;;/h2-5,7H,6,9H2,1H3;2*1H/t7-;;/m1../s1.
What are the key properties of (1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride?
(1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-1-pyridin-2-ylethanamine;dihydrochloride is sourced from PubChem (CID 138040096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).