2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol

C21H31NO3 — CID 175067207

IUPAC2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCCCCOc1cccc2cc(C(C)NCC3CCCCC3O)oc12
InChIInChI=1S/C21H31NO3/c1-3-4-12-24-19-11-7-9-16-13-20(25-21(16)19)15(2)22-14-17-8-5-6-10-18(17)23/h7,9,11,13,15,17-18,22-23H,3-6,8,10,12,14H2,1-2H3
InChIKeyUUAUYTXSBMOTFF-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.81
Rot. Bonds8

About 2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol

2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 175067207) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is 2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID175067207
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Name2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCCCCOc1cccc2cc(C(C)NCC3CCCCC3O)oc12
InChIInChI=1S/C21H31NO3/c1-3-4-12-24-19-11-7-9-16-13-20(25-21(16)19)15(2)22-14-17-8-5-6-10-18(17)23/h7,9,11,13,15,17-18,22-23H,3-6,8,10,12,14H2,1-2H3
InChIKeyUUAUYTXSBMOTFF-UHFFFAOYSA-N
XLogP4.81
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.81
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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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 175067207) is 2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol is CCCCOc1cccc2cc(C(C)NCC3CCCCC3O)oc12.
What is the InChIKey of 2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is UUAUYTXSBMOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-3-4-12-24-19-11-7-9-16-13-20(25-21(16)19)15(2)22-14-17-8-5-6-10-18(17)23/h7,9,11,13,15,17-18,22-23H,3-6,8,10,12,14H2,1-2H3.
What are the key properties of 2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 345.48 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 175067207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).