2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine

C18H27NO2 — CID 43095680

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine
SMILESCC1(C)Cc2cccc(OC3CCCCCCC3N)c2O1
InChIInChI=1S/C18H27NO2/c1-18(2)12-13-8-7-11-16(17(13)21-18)20-15-10-6-4-3-5-9-14(15)19/h7-8,11,14-15H,3-6,9-10,12,19H2,1-2H3
InChIKeyJOXIRSRDSGXACL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.83
Rot. Bonds2

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine (PubChem CID 43095680) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine
PubChem CID43095680
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine
SMILESCC1(C)Cc2cccc(OC3CCCCCCC3N)c2O1
InChIInChI=1S/C18H27NO2/c1-18(2)12-13-8-7-11-16(17(13)21-18)20-15-10-6-4-3-5-9-14(15)19/h7-8,11,14-15H,3-6,9-10,12,19H2,1-2H3
InChIKeyJOXIRSRDSGXACL-UHFFFAOYSA-N
XLogP3.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(R)-2,3-dihydro-1-benzofuran-7-yloxy(phenyl)methyl]morpholine
CID 44450154
(2S)-2-[(S)-2,3-dihydro-1-benzofuran-7-yloxy(phenyl)methyl]morpholine
CID 44450182
1-(5-Methoxy-2,3-dihydro-1-benzofuran-2-yl)methanamine--hydrogen chloride (1/1)
CID 34437
Aliskiren metabolite M9 1
CID 169501923
2-[(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]acetamide
CID 4565165
4-[2-(Aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol
CID 56706999
1-(7-Methoxy-2,3-dihydro-1-benzofuran-2-yl)methanamine--hydrogen chloride (1/1)
CID 36418
2-Benzofuranmethylamine, 2,3-dihydro-7-methoxy-N-(3-phenylpropyl)-, monohydrochloride
CID 39747
1-[3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]propyl]piperidine
CID 16728418
1-[7-(3,4,5-Trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-YL]methanamine
CID 56719793
{2-[(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]ethyl}amine hydrochloride
CID 16109477
7-(2-Aminoethoxy)-2,2-dimethyl-2,3-dihydro-1-benzofuran hydrochloride
CID 43810586

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine (CID 43095680) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine is CC1(C)Cc2cccc(OC3CCCCCCC3N)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine?
The InChIKey is JOXIRSRDSGXACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2)12-13-8-7-11-16(17(13)21-18)20-15-10-6-4-3-5-9-14(15)19/h7-8,11,14-15H,3-6,9-10,12,19H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine is sourced from PubChem (CID 43095680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).