N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine

C19H27NO — CID 114730295

IUPACN-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)C1CCCCCCC1
InChIInChI=1S/C19H27NO/c1-2-20-19(15-10-6-4-3-5-7-11-15)18-14-16-12-8-9-13-17(16)21-18/h8-9,12-15,19-20H,2-7,10-11H2,1H3
InChIKeyHVJJWHQOXZMMSB-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.44
Rot. Bonds4

About N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine

N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine (PubChem CID 114730295) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
PubChem CID114730295
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)C1CCCCCCC1
InChIInChI=1S/C19H27NO/c1-2-20-19(15-10-6-4-3-5-7-11-15)18-14-16-12-8-9-13-17(16)21-18/h8-9,12-15,19-20H,2-7,10-11H2,1H3
InChIKeyHVJJWHQOXZMMSB-UHFFFAOYSA-N
XLogP5.44
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 ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863656
[1-benzofuran-2-yl(cyclobutyl)methyl]hydrazine
CID 105218447
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 115493603
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422
1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105043949
N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine
CID 105043984
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 63091681

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine (CID 114730295) is N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)C1CCCCCCC1.
What is the InChIKey of N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine?
The InChIKey is HVJJWHQOXZMMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-20-19(15-10-6-4-3-5-7-11-15)18-14-16-12-8-9-13-17(16)21-18/h8-9,12-15,19-20H,2-7,10-11H2,1H3.
What are the key properties of N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine?
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine is sourced from PubChem (CID 114730295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).