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

C17H25NO — CID 65018642

IUPACcyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)C1CCCCCCC1
InChIInChI=1S/C17H25NO/c18-17(13-6-4-2-1-3-5-7-13)15-8-9-16-14(12-15)10-11-19-16/h8-9,12-13,17H,1-7,10-11,18H2
InChIKeyNGIKDGOFBHEVMQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.98
Rot. Bonds2

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

cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 65018642) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Namecyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID65018642
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Namecyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)C1CCCCCCC1
InChIInChI=1S/C17H25NO/c18-17(13-6-4-2-1-3-5-7-13)15-8-9-16-14(12-15)10-11-19-16/h8-9,12-13,17H,1-7,10-11,18H2
InChIKeyNGIKDGOFBHEVMQ-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
CID 115862636
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
5-(1-bromo-2-cycloheptylethyl)-2,3-dihydro-1-benzofuran
CID 114458706
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
7-[amino(cyclopentyl)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82500531
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 65018267

Frequently Asked Questions

What is the IUPAC name of cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 65018642) is cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine is NC(c1ccc2c(c1)CCO2)C1CCCCCCC1.
What is the InChIKey of cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is NGIKDGOFBHEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-17(13-6-4-2-1-3-5-7-13)15-8-9-16-14(12-15)10-11-19-16/h8-9,12-13,17H,1-7,10-11,18H2.
What are the key properties of cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine?
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 65018642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).