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

C17H25NO — CID 80603246

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine
SMILESNC1(CC2Cc3ccccc3O2)CCCCCCC1
InChIInChI=1S/C17H25NO/c18-17(10-6-2-1-3-7-11-17)13-15-12-14-8-4-5-9-16(14)19-15/h4-5,8-9,15H,1-3,6-7,10-13,18H2
InChIKeyZUDOSXWHHZOVRL-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.82
Rot. Bonds2

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

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine (PubChem CID 80603246) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine
PubChem CID80603246
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine
SMILESNC1(CC2Cc3ccccc3O2)CCCCCCC1
InChIInChI=1S/C17H25NO/c18-17(10-6-2-1-3-7-11-17)13-15-12-14-8-4-5-9-16(14)19-15/h4-5,8-9,15H,1-3,6-7,10-13,18H2
InChIKeyZUDOSXWHHZOVRL-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 64676743
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxocyclohexane-1-carboxylic acid
CID 103574935
[1-(2,3-dihydro-1-benzofuran-2-ylmethoxy)cyclopentyl]methanamine
CID 66348950
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 116538878
1-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclobutane-1-carboxamide
CID 81172657
2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran
CID 66364854
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine
CID 70406652
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine
CID 55243443
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-amine
CID 66363798
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine (CID 80603246) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine is NC1(CC2Cc3ccccc3O2)CCCCCCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine?
The InChIKey is ZUDOSXWHHZOVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-17(10-6-2-1-3-7-11-17)13-15-12-14-8-4-5-9-16(14)19-15/h4-5,8-9,15H,1-3,6-7,10-13,18H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.82, 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-2-ylmethyl)cyclooctan-1-amine is sourced from PubChem (CID 80603246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).