1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine

C17H25NO — CID 80604001

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
SMILESNC1(CC2COc3ccccc32)CCCCCCC1
InChIInChI=1S/C17H25NO/c18-17(10-6-2-1-3-7-11-17)12-14-13-19-16-9-5-4-8-15(14)16/h4-5,8-9,14H,1-3,6-7,10-13,18H2
InChIKeyRDAXIBREQAKESW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.99
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine (PubChem CID 80604001) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
PubChem CID80604001
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
SMILESNC1(CC2COc3ccccc32)CCCCCCC1
InChIInChI=1S/C17H25NO/c18-17(10-6-2-1-3-7-11-17)12-14-13-19-16-9-5-4-8-15(14)16/h4-5,8-9,14H,1-3,6-7,10-13,18H2
InChIKeyRDAXIBREQAKESW-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine (CID 80604001) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine is NC1(CC2COc3ccccc32)CCCCCCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine?
The InChIKey is RDAXIBREQAKESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-17(10-6-2-1-3-7-11-17)12-14-13-19-16-9-5-4-8-15(14)16/h4-5,8-9,14H,1-3,6-7,10-13,18H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine is sourced from PubChem (CID 80604001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).