1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol

C16H28N2O3 — CID 62990978

IUPAC1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
SMILESCCCCCCOCC(O)CNCc1ccc(OC)nc1
InChIInChI=1S/C16H28N2O3/c1-3-4-5-6-9-21-13-15(19)12-17-10-14-7-8-16(20-2)18-11-14/h7-8,11,15,17,19H,3-6,9-10,12-13H2,1-2H3
InChIKeyPCVGFYFNACSCPG-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.14
Rot. Bonds12

About 1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol

1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol (PubChem CID 62990978) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
PubChem CID62990978
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
SMILESCCCCCCOCC(O)CNCc1ccc(OC)nc1
InChIInChI=1S/C16H28N2O3/c1-3-4-5-6-9-21-13-15(19)12-17-10-14-7-8-16(20-2)18-11-14/h7-8,11,15,17,19H,3-6,9-10,12-13H2,1-2H3
InChIKeyPCVGFYFNACSCPG-UHFFFAOYSA-N
XLogP2.14
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.14
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-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 60969174
1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633945
1-[(6-methoxy-3-pyridinyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62991515
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
1-hexoxy-3-[[3-(hydroxymethyl)phenyl]methylamino]propan-2-ol
CID 107230499
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
CID 101292365
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol
CID 106371765
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The IUPAC name of 1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol (CID 62990978) is 1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The canonical SMILES for 1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol is CCCCCCOCC(O)CNCc1ccc(OC)nc1.
What is the InChIKey of 1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The InChIKey is PCVGFYFNACSCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-4-5-6-9-21-13-15(19)12-17-10-14-7-8-16(20-2)18-11-14/h7-8,11,15,17,19H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol?
1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 2.14, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol is sourced from PubChem (CID 62990978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).