1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol

C14H24N2O3 — CID 106989465

IUPAC1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
SMILESCOCC(C)OCC(O)CNCCc1cccnc1
InChIInChI=1S/C14H24N2O3/c1-12(10-18-2)19-11-14(17)9-16-7-5-13-4-3-6-15-8-13/h3-4,6,8,12,14,16-17H,5,7,9-11H2,1-2H3
InChIKeyJDFSOOFWNCJYLS-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.63
Rot. Bonds10

About 1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol (PubChem CID 106989465) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
PubChem CID106989465
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
SMILESCOCC(C)OCC(O)CNCCc1cccnc1
InChIInChI=1S/C14H24N2O3/c1-12(10-18-2)19-11-14(17)9-16-7-5-13-4-3-6-15-8-13/h3-4,6,8,12,14,16-17H,5,7,9-11H2,1-2H3
InChIKeyJDFSOOFWNCJYLS-UHFFFAOYSA-N
XLogP0.63
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
1-(2-pyridin-3-ylethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60909003
3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid
CID 103239880
1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine
CID 113407670
1-(propan-2-ylamino)-3-[4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]propan-2-ol
CID 146141767
N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115252913
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989374
1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol
CID 60908753
1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 106989341
1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 164906466
N-methyl-2-(2-pyridin-3-ylethoxy)propan-1-amine
CID 63262792

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol (CID 106989465) is 1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol is COCC(C)OCC(O)CNCCc1cccnc1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol?
The InChIKey is JDFSOOFWNCJYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-12(10-18-2)19-11-14(17)9-16-7-5-13-4-3-6-15-8-13/h3-4,6,8,12,14,16-17H,5,7,9-11H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.63, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol is sourced from PubChem (CID 106989465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).