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

C12H17NO2 — CID 102651455

IUPACN-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1ccco1
InChIInChI=1S/C12H17NO2/c1-2-7-13-12(10-5-3-8-14-10)11-6-4-9-15-11/h3,5-6,8,12-13H,2,4,7,9H2,1H3
InChIKeyAFLZTYLBPCQZOH-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.62
Rot. Bonds5

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

N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine (PubChem CID 102651455) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
PubChem CID102651455
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1ccco1
InChIInChI=1S/C12H17NO2/c1-2-7-13-12(10-5-3-8-14-10)11-6-4-9-15-11/h3,5-6,8,12-13H,2,4,7,9H2,1H3
InChIKeyAFLZTYLBPCQZOH-UHFFFAOYSA-N
XLogP2.62
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362
[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]hydrazine
CID 102654121
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524
N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
CID 102653283
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(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 102651992
N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653177
N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102651379
N-[(5-bromo-2-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653170
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
CID 102653741

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine (CID 102651455) is N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1ccco1.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine?
The InChIKey is AFLZTYLBPCQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-7-13-12(10-5-3-8-14-10)11-6-4-9-15-11/h3,5-6,8,12-13H,2,4,7,9H2,1H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine?
N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine has a molecular weight of 207.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102651455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).