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

C16H21NO2 — CID 102652109

IUPACN-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)C1COc2ccccc21
InChIInChI=1S/C16H21NO2/c1-2-9-17-16(15-8-5-10-18-15)13-11-19-14-7-4-3-6-12(13)14/h3-4,6-8,13,16-17H,2,5,9-11H2,1H3
InChIKeyOZPDPXQFWXHCGO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.84
Rot. Bonds5

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

N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine (PubChem CID 102652109) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
PubChem CID102652109
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)C1COc2ccccc21
InChIInChI=1S/C16H21NO2/c1-2-9-17-16(15-8-5-10-18-15)13-11-19-14-7-4-3-6-12(13)14/h3-4,6-8,13,16-17H,2,5,9-11H2,1H3
InChIKeyOZPDPXQFWXHCGO-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647609
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647507
N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81163668
N-[3,4-dihydro-2H-chromen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647613
N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 102653179
N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136795
1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine
CID 104807348
1-(2,3-dihydrofuran-5-yl)-2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 102651516
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
CID 65409887
1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 102651881
N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136469
N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
CID 102651455

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine (CID 102652109) is N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine is CCCNC(C1=CCCO1)C1COc2ccccc21.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The InChIKey is OZPDPXQFWXHCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-9-17-16(15-8-5-10-18-15)13-11-19-14-7-4-3-6-12(13)14/h3-4,6-8,13,16-17H,2,5,9-11H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.84, 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-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 102652109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).