N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine

C19H27NO — CID 43226088

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
SMILESCCc1oc2ccccc2c1CNC1CCCCCCC1
InChIInChI=1S/C19H27NO/c1-2-18-17(16-12-8-9-13-19(16)21-18)14-20-15-10-6-4-3-5-7-11-15/h8-9,12-13,15,20H,2-7,10-11,14H2,1H3
InChIKeyLKSNFCLAAFPLDL-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.20
Rot. Bonds4

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine

N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine (PubChem CID 43226088) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
PubChem CID43226088
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
SMILESCCc1oc2ccccc2c1CNC1CCCCCCC1
InChIInChI=1S/C19H27NO/c1-2-18-17(16-12-8-9-13-19(16)21-18)14-20-15-10-6-4-3-5-7-11-15/h8-9,12-13,15,20H,2-7,10-11,14H2,1H3
InChIKeyLKSNFCLAAFPLDL-UHFFFAOYSA-N
XLogP5.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223383
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63454846
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257
3-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 64921153
N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485353
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine (CID 43226088) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine is CCc1oc2ccccc2c1CNC1CCCCCCC1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine?
The InChIKey is LKSNFCLAAFPLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-18-17(16-12-8-9-13-19(16)21-18)14-20-15-10-6-4-3-5-7-11-15/h8-9,12-13,15,20H,2-7,10-11,14H2,1H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine has a molecular weight of 285.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine is sourced from PubChem (CID 43226088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).