1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol

C13H22N2O4 — CID 106988783

IUPAC1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1ccc(C)nc1CN
InChIInChI=1S/C13H22N2O4/c1-10-3-4-13(12(7-14)15-10)19-9-11(16)8-18-6-5-17-2/h3-4,11,16H,5-9,14H2,1-2H3
InChIKeyRFZXZKCQTQRWRG-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.25
Rot. Bonds9

About 1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol

1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106988783) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106988783
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COc1ccc(C)nc1CN
InChIInChI=1S/C13H22N2O4/c1-10-3-4-13(12(7-14)15-10)19-9-11(16)8-18-6-5-17-2/h3-4,11,16H,5-9,14H2,1-2H3
InChIKeyRFZXZKCQTQRWRG-UHFFFAOYSA-N
XLogP0.25
TPSA86.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol
CID 82850120
1-[2-(aminomethyl)-4-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988442
1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79158885
1-[2-(aminomethyl)-5-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988558
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150713
[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79156818
1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991174

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol (CID 106988783) is 1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)COc1ccc(C)nc1CN.
What is the InChIKey of 1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is RFZXZKCQTQRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10-3-4-13(12(7-14)15-10)19-9-11(16)8-18-6-5-17-2/h3-4,11,16H,5-9,14H2,1-2H3.
What are the key properties of 1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol?
1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 270.33 g/mol, XLogP of 0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106988783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).