1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol

C10H21NO3 — CID 63930500

IUPAC1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
SMILESCOCC(O)CNCC1CCOCC1
InChIInChI=1S/C10H21NO3/c1-13-8-10(12)7-11-6-9-2-4-14-5-3-9/h9-12H,2-8H2,1H3
InChIKeyKAPFBXGWFHQENY-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.01
Rot. Bonds6

About 1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol

1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol (PubChem CID 63930500) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
PubChem CID63930500
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
SMILESCOCC(O)CNCC1CCOCC1
InChIInChI=1S/C10H21NO3/c1-13-8-10(12)7-11-6-9-2-4-14-5-3-9/h9-12H,2-8H2,1H3
InChIKeyKAPFBXGWFHQENY-UHFFFAOYSA-N
XLogP0.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol
CID 102672307
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
1-(oxan-4-ylmethylamino)pentan-2-ol
CID 115685627
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol
CID 63928167
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine
CID 62386572
1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54913976
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol
CID 63930922
1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 63928603

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol?
The IUPAC name of 1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol (CID 63930500) is 1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol is COCC(O)CNCC1CCOCC1.
What is the InChIKey of 1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol?
The InChIKey is KAPFBXGWFHQENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-13-8-10(12)7-11-6-9-2-4-14-5-3-9/h9-12H,2-8H2,1H3.
What are the key properties of 1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol?
1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 63930500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).