N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine

C18H23NO — CID 105043984

IUPACN-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine
SMILESCCCNC(c1cc2ccccc2o1)C1C2CCCC21
InChIInChI=1S/C18H23NO/c1-2-10-19-18(17-13-7-5-8-14(13)17)16-11-12-6-3-4-9-15(12)20-16/h3-4,6,9,11,13-14,17-19H,2,5,7-8,10H2,1H3
InChIKeyKLYFXIDOOHIUJT-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.52
Rot. Bonds5

About N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine

N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine (PubChem CID 105043984) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine
PubChem CID105043984
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine
SMILESCCCNC(c1cc2ccccc2o1)C1C2CCCC21
InChIInChI=1S/C18H23NO/c1-2-10-19-18(17-13-7-5-8-14(13)17)16-11-12-6-3-4-9-15(12)20-16/h3-4,6,9,11,13-14,17-19H,2,5,7-8,10H2,1H3
InChIKeyKLYFXIDOOHIUJT-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzofuran-2-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105044189
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114729699
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
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664
N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863656
[1-benzofuran-2-yl(cyclobutyl)methyl]hydrazine
CID 105218447
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524
N-[(5-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 114729168
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728050

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine (CID 105043984) is N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine is CCCNC(c1cc2ccccc2o1)C1C2CCCC21.
What is the InChIKey of N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine?
The InChIKey is KLYFXIDOOHIUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-10-19-18(17-13-7-5-8-14(13)17)16-11-12-6-3-4-9-15(12)20-16/h3-4,6,9,11,13-14,17-19H,2,5,7-8,10H2,1H3.
What are the key properties of N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine?
N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.52, 5 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(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine is sourced from PubChem (CID 105043984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).