N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine

C18H25NO2 — CID 63091681

IUPACN-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C18H25NO2/c1-2-9-19-16(12-14-7-10-20-11-8-14)18-13-15-5-3-4-6-17(15)21-18/h3-6,13-14,16,19H,2,7-12H2,1H3
InChIKeyKJIBJODEXBBTRS-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.29
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine

N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 63091681) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID63091681
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C18H25NO2/c1-2-9-19-16(12-14-7-10-20-11-8-14)18-13-15-5-3-4-6-17(15)21-18/h3-6,13-14,16,19H,2,7-12H2,1H3
InChIKeyKJIBJODEXBBTRS-UHFFFAOYSA-N
XLogP4.29
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728050
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
N-[1-(3,4-dimethylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115846940
N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine
CID 105043984
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
CID 107009087
N-[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987494
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524
N-[1-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 81276755
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine (CID 63091681) is N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine is CCCNC(CC1CCOCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is KJIBJODEXBBTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-9-19-16(12-14-7-10-20-11-8-14)18-13-15-5-3-4-6-17(15)21-18/h3-6,13-14,16,19H,2,7-12H2,1H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine?
N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63091681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).