1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol

C18H27NO2 — CID 64688757

IUPAC1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1(C)Cc2cccc(CNCC3(O)CCCCC3)c2O1
InChIInChI=1S/C18H27NO2/c1-17(2)11-14-7-6-8-15(16(14)21-17)12-19-13-18(20)9-4-3-5-10-18/h6-8,19-20H,3-5,9-13H2,1-2H3
InChIKeyIXSITZLGJSSOAP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.18
Rot. Bonds4

About 1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol

1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64688757) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64688757
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1(C)Cc2cccc(CNCC3(O)CCCCC3)c2O1
InChIInChI=1S/C18H27NO2/c1-17(2)11-14-7-6-8-15(16(14)21-17)12-19-13-18(20)9-4-3-5-10-18/h6-8,19-20H,3-5,9-13H2,1-2H3
InChIKeyIXSITZLGJSSOAP-UHFFFAOYSA-N
XLogP3.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750045
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117311226
4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol
CID 115641600
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417645
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64507929
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731540
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600345
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56895548
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 64508823
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 64509045

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol (CID 64688757) is 1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol is CC1(C)Cc2cccc(CNCC3(O)CCCCC3)c2O1.
What is the InChIKey of 1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IXSITZLGJSSOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2)11-14-7-6-8-15(16(14)21-17)12-19-13-18(20)9-4-3-5-10-18/h6-8,19-20H,3-5,9-13H2,1-2H3.
What are the key properties of 1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64688757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).