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

C18H25NO3 — CID 175069255

IUPAC2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1cccc2cc(C(C)NCC3CCCCC3O)oc12
InChIInChI=1S/C18H25NO3/c1-12(19-11-14-6-3-4-8-15(14)20)17-10-13-7-5-9-16(21-2)18(13)22-17/h5,7,9-10,12,14-15,19-20H,3-4,6,8,11H2,1-2H3
InChIKeyAMKHCKWJULRNCU-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.64
Rot. Bonds5

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

2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 175069255) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID175069255
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1cccc2cc(C(C)NCC3CCCCC3O)oc12
InChIInChI=1S/C18H25NO3/c1-12(19-11-14-6-3-4-8-15(14)20)17-10-13-7-5-9-16(21-2)18(13)22-17/h5,7,9-10,12,14-15,19-20H,3-4,6,8,11H2,1-2H3
InChIKeyAMKHCKWJULRNCU-UHFFFAOYSA-N
XLogP3.64
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 175067207
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
CID 43200727
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104578626
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]thian-3-amine
CID 115882048
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 75427573
2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol
CID 103935727
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-propylcyclopropan-1-amine
CID 103921920
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol
CID 75472029
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
CID 112672661

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 175069255) is 2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol is COc1cccc2cc(C(C)NCC3CCCCC3O)oc12.
What is the InChIKey of 2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is AMKHCKWJULRNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(19-11-14-6-3-4-8-15(14)20)17-10-13-7-5-9-16(21-2)18(13)22-17/h5,7,9-10,12,14-15,19-20H,3-4,6,8,11H2,1-2H3.
What are the key properties of 2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 303.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 175069255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).