N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine

C18H25NO2 — CID 104542550

IUPACN-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C1CC2CCC1O2
InChIInChI=1S/C18H25NO2/c1-2-8-19-18(15-11-14-4-6-17(15)21-14)13-3-5-16-12(10-13)7-9-20-16/h3,5,10,14-15,17-19H,2,4,6-9,11H2,1H3
InChIKeyMQIGGBWUAKOPQU-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.23
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine

N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine (PubChem CID 104542550) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine
PubChem CID104542550
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)C1CC2CCC1O2
InChIInChI=1S/C18H25NO2/c1-2-8-19-18(15-11-14-4-6-17(15)21-14)13-3-5-16-12(10-13)7-9-20-16/h3,5,10,14-15,17-19H,2,4,6-9,11H2,1H3
InChIKeyMQIGGBWUAKOPQU-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl(thian-2-yl)methyl]propan-1-amine
CID 104542771
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine
CID 63503431
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518674
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-1-amine
CID 65444583
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
CID 65234969
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine
CID 116761534
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine (CID 104542550) is N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCO2)C1CC2CCC1O2.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine?
The InChIKey is MQIGGBWUAKOPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-8-19-18(15-11-14-4-6-17(15)21-14)13-3-5-16-12(10-13)7-9-20-16/h3,5,10,14-15,17-19H,2,4,6-9,11H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 104542550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).