N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine

C18H23NO2 — CID 43495424

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)c1cc(C)oc1C
InChIInChI=1S/C18H23NO2/c1-4-8-19-18(16-10-12(2)21-13(16)3)15-5-6-17-14(11-15)7-9-20-17/h5-6,10-11,18-19H,4,7-9H2,1-3H3
InChIKeyXUZFPMYBVIDDKO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.92
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine

N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine (PubChem CID 43495424) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
PubChem CID43495424
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)c1cc(C)oc1C
InChIInChI=1S/C18H23NO2/c1-4-8-19-18(16-10-12(2)21-13(16)3)15-5-6-17-14(11-15)7-9-20-17/h5-6,10-11,18-19H,4,7-9H2,1-3H3
InChIKeyXUZFPMYBVIDDKO-UHFFFAOYSA-N
XLogP3.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]hydrazine
CID 105333855
N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
CID 43495451
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105180168
N-[(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 102764063
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
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
N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105180181
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine (CID 43495424) is N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCO2)c1cc(C)oc1C.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is XUZFPMYBVIDDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-8-19-18(16-10-12(2)21-13(16)3)15-5-6-17-14(11-15)7-9-20-17/h5-6,10-11,18-19H,4,7-9H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.92, 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-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 43495424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).