1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol

C15H19NO4 — CID 110019088

IUPAC1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
SMILESCOCC(O)CNCc1ccc(Oc2ccccc2)o1
InChIInChI=1S/C15H19NO4/c1-18-11-12(17)9-16-10-14-7-8-15(20-14)19-13-5-3-2-4-6-13/h2-8,12,16-17H,9-11H2,1H3
InChIKeyAYWRHVZGQBOICP-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.17
Rot. Bonds8

About 1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol

1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol (PubChem CID 110019088) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
PubChem CID110019088
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
SMILESCOCC(O)CNCc1ccc(Oc2ccccc2)o1
InChIInChI=1S/C15H19NO4/c1-18-11-12(17)9-16-10-14-7-8-15(20-14)19-13-5-3-2-4-6-13/h2-8,12,16-17H,9-11H2,1H3
InChIKeyAYWRHVZGQBOICP-UHFFFAOYSA-N
XLogP2.17
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol (CID 110019088) is 1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol is COCC(O)CNCc1ccc(Oc2ccccc2)o1.
What is the InChIKey of 1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol?
The InChIKey is AYWRHVZGQBOICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-11-12(17)9-16-10-14-7-8-15(20-14)19-13-5-3-2-4-6-13/h2-8,12,16-17H,9-11H2,1H3.
What are the key properties of 1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol?
1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol has a molecular weight of 277.32 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 110019088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).