N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine

C15H21NO2 — CID 105029341

IUPACN-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(CC)o1
InChIInChI=1S/C15H21NO2/c1-3-9-16-14(11-13-6-5-10-17-13)15-8-7-12(4-2)18-15/h5-8,10,14,16H,3-4,9,11H2,1-2H3
InChIKeyPQZCHXFQOJQUAO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.72
Rot. Bonds7

About N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine

N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 105029341) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
PubChem CID105029341
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(CC)o1
InChIInChI=1S/C15H21NO2/c1-3-9-16-14(11-13-6-5-10-17-13)15-8-7-12(4-2)18-15/h5-8,10,14,16H,3-4,9,11H2,1-2H3
InChIKeyPQZCHXFQOJQUAO-UHFFFAOYSA-N
XLogP3.72
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004037
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
N-[2-(4-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 115847777
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 105029308
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
1-(5-ethylfuran-2-yl)-2-methyl-N-propylpentan-1-amine
CID 63505068
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine (CID 105029341) is N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1ccc(CC)o1.
What is the InChIKey of N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is PQZCHXFQOJQUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-9-16-14(11-13-6-5-10-17-13)15-8-7-12(4-2)18-15/h5-8,10,14,16H,3-4,9,11H2,1-2H3.
What are the key properties of N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine?
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105029341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).