2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride

C15H20Cl2N2O3 — CID 21482241

IUPAC2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride
SMILESCOc1ccccc1OC(C)NCc1ncccc1O.Cl.Cl
InChIInChI=1S/C15H18N2O3.2ClH/c1-11(17-10-12-13(18)6-5-9-16-12)20-15-8-4-3-7-14(15)19-2;;/h3-9,11,17-18H,10H2,1-2H3;2*1H
InChIKeyFNXFVWYBWONXPY-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.15
Rot. Bonds6

About 2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride

2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride (PubChem CID 21482241) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride.

Molecular Properties

Compound Name2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride
PubChem CID21482241
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride
SMILESCOc1ccccc1OC(C)NCc1ncccc1O.Cl.Cl
InChIInChI=1S/C15H18N2O3.2ClH/c1-11(17-10-12-13(18)6-5-9-16-12)20-15-8-4-3-7-14(15)19-2;;/h3-9,11,17-18H,10H2,1-2H3;2*1H
InChIKeyFNXFVWYBWONXPY-UHFFFAOYSA-N
XLogP3.15
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-3-methoxypyridine;2-benzylpyridin-3-ol;pyridin-1-ium;chloride
CID 158918479
ethane;2-ethyl-3-methoxypyridine
CID 144504427
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 82733459
3-methoxy-2-(4-methylpentyl)pyridine
CID 177208696
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
1-(3-methoxy-2-pyridinyl)-N,N-dimethylmethanamine
CID 130666799
N-(3-hydroxy-2-pyridinyl)-2-(2-methoxyphenoxy)acetamide
CID 18109430
2-[1-(benzylamino)ethoxy]phenol;bicyclo[4.1.0]hepta-1,3,5-triene
CID 20555060
4-methoxy-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63305945
2-(2-methoxyethyl)pyridin-3-ol
CID 119087382

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride?
The IUPAC name of 2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride (CID 21482241) is 2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride.
What is the SMILES notation for 2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride?
The canonical SMILES for 2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride is COc1ccccc1OC(C)NCc1ncccc1O.Cl.Cl.
What is the InChIKey of 2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride?
The InChIKey is FNXFVWYBWONXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3.2ClH/c1-11(17-10-12-13(18)6-5-9-16-12)20-15-8-4-3-7-14(15)19-2;;/h3-9,11,17-18H,10H2,1-2H3;2*1H.
What are the key properties of 2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride?
2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride has a molecular weight of 347.24 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride is sourced from PubChem (CID 21482241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).