cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine

C17H25NO — CID 65018267

IUPACcyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)COC2)C1CCCCCCC1
InChIInChI=1S/C17H25NO/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-11-19-12-16(15)10-14/h8-10,13,17H,1-7,11-12,18H2
InChIKeyWCCCRBHAEWNOQP-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.08
Rot. Bonds2

About cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine

cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine (PubChem CID 65018267) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Namecyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine
PubChem CID65018267
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Namecyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)COC2)C1CCCCCCC1
InChIInChI=1S/C17H25NO/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-11-19-12-16(15)10-14/h8-10,13,17H,1-7,11-12,18H2
InChIKeyWCCCRBHAEWNOQP-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 65023088
5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran
CID 63020800
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine
CID 81329935
5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
CID 63019567
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
cyclohexyl(naphthalen-2-yl)methanamine
CID 62715199
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
5-[bromo(oxan-3-yl)methyl]-1,3-dihydro-2-benzofuran
CID 55144249

Frequently Asked Questions

What is the IUPAC name of cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The IUPAC name of cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine (CID 65018267) is cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine.
What is the SMILES notation for cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The canonical SMILES for cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine is NC(c1ccc2c(c1)COC2)C1CCCCCCC1.
What is the InChIKey of cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine?
The InChIKey is WCCCRBHAEWNOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-17(13-6-4-2-1-3-5-7-13)14-8-9-15-11-19-12-16(15)10-14/h8-10,13,17H,1-7,11-12,18H2.
What are the key properties of cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine?
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine is sourced from PubChem (CID 65018267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).