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

C16H19NO2 — CID 102651524

IUPACN-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO2/c1-2-9-17-16(14-8-5-10-18-14)15-11-12-6-3-4-7-13(12)19-15/h3-4,6-8,11,16-17H,2,5,9-10H2,1H3
InChIKeyGMTAXNVVDWENHR-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.78
Rot. Bonds5

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

N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine (PubChem CID 102651524) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
PubChem CID102651524
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO2/c1-2-9-17-16(14-8-5-10-18-14)15-11-12-6-3-4-7-13(12)19-15/h3-4,6-8,11,16-17H,2,5,9-10H2,1H3
InChIKeyGMTAXNVVDWENHR-UHFFFAOYSA-N
XLogP3.78
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
CID 102651455
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102653514
N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
CID 102653283
N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102651379
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
N-[(5-bromo-2-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653170
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362
N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 63091681
N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105044087
N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 105043923

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine (CID 102651524) is N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The InChIKey is GMTAXNVVDWENHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-9-17-16(14-8-5-10-18-14)15-11-12-6-3-4-7-13(12)19-15/h3-4,6-8,11,16-17H,2,5,9-10H2,1H3.
What are the key properties of N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 102651524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).