1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol

C17H25NO3 — CID 65208377

IUPAC1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol
SMILESCCNC1COc2cc(OCC3(O)CCCCC3)ccc21
InChIInChI=1S/C17H25NO3/c1-2-18-15-11-20-16-10-13(6-7-14(15)16)21-12-17(19)8-4-3-5-9-17/h6-7,10,15,18-19H,2-5,8-9,11-12H2,1H3
InChIKeyDESBAELRAXGYET-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.80
Rot. Bonds5

About 1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol

1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 65208377) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol
PubChem CID65208377
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol
SMILESCCNC1COc2cc(OCC3(O)CCCCC3)ccc21
InChIInChI=1S/C17H25NO3/c1-2-18-15-11-20-16-10-13(6-7-14(15)16)21-12-17(19)8-4-3-5-9-17/h6-7,10,15,18-19H,2-5,8-9,11-12H2,1H3
InChIKeyDESBAELRAXGYET-UHFFFAOYSA-N
XLogP2.80
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of 1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol (CID 65208377) is 1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol is CCNC1COc2cc(OCC3(O)CCCCC3)ccc21.
What is the InChIKey of 1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is DESBAELRAXGYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-18-15-11-20-16-10-13(6-7-14(15)16)21-12-17(19)8-4-3-5-9-17/h6-7,10,15,18-19H,2-5,8-9,11-12H2,1H3.
What are the key properties of 1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol?
1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 65208377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).