1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol

C16H21NO2 — CID 78963908

IUPAC1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCc2coc3ccccc23)CCCCC1
InChIInChI=1S/C16H21NO2/c18-16(8-4-1-5-9-16)12-17-10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11,17-18H,1,4-5,8-10,12H2
InChIKeyLAAPUTAOKIFIMC-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.22
Rot. Bonds4

About 1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol

1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 78963908) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID78963908
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCc2coc3ccccc23)CCCCC1
InChIInChI=1S/C16H21NO2/c18-16(8-4-1-5-9-16)12-17-10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11,17-18H,1,4-5,8-10,12H2
InChIKeyLAAPUTAOKIFIMC-UHFFFAOYSA-N
XLogP3.22
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol (CID 78963908) is 1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol is OC1(CNCc2coc3ccccc23)CCCCC1.
What is the InChIKey of 1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is LAAPUTAOKIFIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(8-4-1-5-9-16)12-17-10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11,17-18H,1,4-5,8-10,12H2.
What are the key properties of 1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol?
1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 78963908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).