2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride

C8H14Cl2N2O — CID 126851809

IUPAC2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride
SMILESCOCC(N)c1cccnc1.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-11-6-8(9)7-3-2-4-10-5-7;;/h2-5,8H,6,9H2,1H3;2*1H
InChIKeyZVOKVPGOBGIBNL-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.57
Rot. Bonds3

About 2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride

2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride (PubChem CID 126851809) has the molecular formula C8H14Cl2N2O and a molecular weight of 225.12 g/mol. Its IUPAC name is 2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride
PubChem CID126851809
Molecular FormulaC8H14Cl2N2O
Molecular Weight225.12 g/mol
Exact Mass224.05
IUPAC Name2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride
SMILESCOCC(N)c1cccnc1.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-11-6-8(9)7-3-2-4-10-5-7;;/h2-5,8H,6,9H2,1H3;2*1H
InChIKeyZVOKVPGOBGIBNL-UHFFFAOYSA-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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Related Compounds

3-Pyridineethanol
CID 80515
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
1-(Pyridin-3-yl)ethan-1-amine
CID 2771688
Methyl[1-(pyridin-3-yl)ethyl]amine
CID 16778481
N-(pyridin-3-ylmethyl)propan-2-amine
CID 3816145
(2-Amino-1-(3-pyridyl)ethyl)dimethylamine
CID 3864338
3-[(6S)-1,2,3,6-tetrahydropyridin-6-yl]pyridine
CID 101511351
3-[(6R)-1,2,3,6-tetrahydropyridin-6-yl]pyridine
CID 101511352
2-(Aminomethyl)-5-(3''-pyridinylethyl)tetrahydrofuran
CID 11492164
1-(Pyridin-3-yl)propan-2-amine
CID 4712458
N-Ethyl-1-(pyridin-3-yl)ethan-1-amine
CID 14619192

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride?
The IUPAC name of 2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride (CID 126851809) is 2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride.
What is the SMILES notation for 2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride?
The canonical SMILES for 2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride is COCC(N)c1cccnc1.Cl.Cl.
What is the InChIKey of 2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride?
The InChIKey is ZVOKVPGOBGIBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.2ClH/c1-11-6-8(9)7-3-2-4-10-5-7;;/h2-5,8H,6,9H2,1H3;2*1H.
What are the key properties of 2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride?
2-methoxy-1-pyridin-3-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 2-methoxy-1-pyridin-3-ylethanamine;dihydrochloride is sourced from PubChem (CID 126851809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).