N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine

C13H16N2O — CID 106887414

IUPACN-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2ccncc2)o1
InChIInChI=1S/C13H16N2O/c1-2-14-10-13-4-3-12(16-13)9-11-5-7-15-8-6-11/h3-8,14H,2,9-10H2,1H3
InChIKeyDIAVHMNQCIZHEL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.37
Rot. Bonds5

About N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine

N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 106887414) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID106887414
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2ccncc2)o1
InChIInChI=1S/C13H16N2O/c1-2-14-10-13-4-3-12(16-13)9-11-5-7-15-8-6-11/h3-8,14H,2,9-10H2,1H3
InChIKeyDIAVHMNQCIZHEL-UHFFFAOYSA-N
XLogP2.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887614
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyridin-4-ylethanamine
CID 54944027
N-[(5-propylfuran-2-yl)methyl]pyridin-4-amine
CID 122651131
N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine
CID 114076744
N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]ethanamine
CID 114792502
N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
CID 62412356
N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine
CID 121358962
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
dimethyl 5-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 4724929
methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332875
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332089

Frequently Asked Questions

What is the IUPAC name of N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine (CID 106887414) is N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(Cc2ccncc2)o1.
What is the InChIKey of N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is DIAVHMNQCIZHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-14-10-13-4-3-12(16-13)9-11-5-7-15-8-6-11/h3-8,14H,2,9-10H2,1H3.
What are the key properties of N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine?
N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).