1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol

C18H25NO2 — CID 114735091

IUPAC1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(c2cc3cccc(C)c3o2)CC1
InChIInChI=1S/C18H25NO2/c1-3-11-19-15-7-9-18(20,10-8-15)16-12-14-6-4-5-13(2)17(14)21-16/h4-6,12,15,19-20H,3,7-11H2,1-2H3
InChIKeyZFLDBOFLGDYISG-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.87
Rot. Bonds4

About 1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol

1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol (PubChem CID 114735091) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
PubChem CID114735091
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(c2cc3cccc(C)c3o2)CC1
InChIInChI=1S/C18H25NO2/c1-3-11-19-15-7-9-18(20,10-8-15)16-12-14-6-4-5-13(2)17(14)21-16/h4-6,12,15,19-20H,3,7-11H2,1-2H3
InChIKeyZFLDBOFLGDYISG-UHFFFAOYSA-N
XLogP3.87
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol (CID 114735091) is 1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol is CCCNC1CCC(O)(c2cc3cccc(C)c3o2)CC1.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol?
The InChIKey is ZFLDBOFLGDYISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-11-19-15-7-9-18(20,10-8-15)16-12-14-6-4-5-13(2)17(14)21-16/h4-6,12,15,19-20H,3,7-11H2,1-2H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol?
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol has a molecular weight of 287.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol is sourced from PubChem (CID 114735091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).