4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol

C15H19NO2 — CID 115149469

IUPAC4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
SMILESCN(c1coc2ccccc12)C1CCC(O)CC1
InChIInChI=1S/C15H19NO2/c1-16(11-6-8-12(17)9-7-11)14-10-18-15-5-3-2-4-13(14)15/h2-5,10-12,17H,6-9H2,1H3
InChIKeyCHBRNMYFVRNIKA-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.17
Rot. Bonds2

About 4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol

4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol (PubChem CID 115149469) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
PubChem CID115149469
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
SMILESCN(c1coc2ccccc12)C1CCC(O)CC1
InChIInChI=1S/C15H19NO2/c1-16(11-6-8-12(17)9-7-11)14-10-18-15-5-3-2-4-13(14)15/h2-5,10-12,17H,6-9H2,1H3
InChIKeyCHBRNMYFVRNIKA-UHFFFAOYSA-N
XLogP3.17
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 115149803
N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
CID 115118778
4-[methyl(naphthalen-1-yl)amino]cyclohexan-1-ol
CID 115149474
methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate
CID 117029658
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117041404
3-[1-benzofuran-3-yl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164001
5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one
CID 115236413
2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252002
N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
CID 115256590
3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine
CID 117040946
4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol
CID 115149418

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol (CID 115149469) is 4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol is CN(c1coc2ccccc12)C1CCC(O)CC1.
What is the InChIKey of 4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol?
The InChIKey is CHBRNMYFVRNIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16(11-6-8-12(17)9-7-11)14-10-18-15-5-3-2-4-13(14)15/h2-5,10-12,17H,6-9H2,1H3.
What are the key properties of 4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol?
4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 115149469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).