1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol

C16H25NO3 — CID 62775282

IUPAC1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1cc2c(cc1OCC)CC(C)O2
InChIInChI=1S/C16H25NO3/c1-4-6-17-10-14(18)13-9-15-12(7-11(3)20-15)8-16(13)19-5-2/h8-9,11,14,17-18H,4-7,10H2,1-3H3
InChIKeyVGUFUEXUPJGLMI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.44
Rot. Bonds7

About 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol

1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol (PubChem CID 62775282) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol
PubChem CID62775282
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1cc2c(cc1OCC)CC(C)O2
InChIInChI=1S/C16H25NO3/c1-4-6-17-10-14(18)13-9-15-12(7-11(3)20-15)8-16(13)19-5-2/h8-9,11,14,17-18H,4-7,10H2,1-3H3
InChIKeyVGUFUEXUPJGLMI-UHFFFAOYSA-N
XLogP2.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 43209051
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol
CID 65150817
2-cyclopentyl-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 65150918
(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-hydroxymethanesulfonic acid
CID 103574423
cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 63893850
ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 60788248
2-amino-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 24695376
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-formamidoacetic acid
CID 63689683
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hexan-1-ol
CID 115349970
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(ethylamino)acetonitrile
CID 43115106
1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-propylthiourea
CID 9097608
5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]pentan-1-ol
CID 107302952

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol?
The IUPAC name of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol (CID 62775282) is 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol is CCCNCC(O)c1cc2c(cc1OCC)CC(C)O2.
What is the InChIKey of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol?
The InChIKey is VGUFUEXUPJGLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-6-17-10-14(18)13-9-15-12(7-11(3)20-15)8-16(13)19-5-2/h8-9,11,14,17-18H,4-7,10H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol?
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol is sourced from PubChem (CID 62775282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).