1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine

C13H16N2O — CID 60721044

IUPAC1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCC(NCCc1ccncc1)c1ccco1
InChIInChI=1S/C13H16N2O/c1-11(13-3-2-10-16-13)15-9-6-12-4-7-14-8-5-12/h2-5,7-8,10-11,15H,6,9H2,1H3
InChIKeyVAXKGCDUPXBASF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.57
Rot. Bonds5

About 1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine

1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 60721044) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID60721044
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCC(NCCc1ccncc1)c1ccco1
InChIInChI=1S/C13H16N2O/c1-11(13-3-2-10-16-13)15-9-6-12-4-7-14-8-5-12/h2-5,7-8,10-11,15H,6,9H2,1H3
InChIKeyVAXKGCDUPXBASF-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43178043
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine
CID 115708089
1-(furan-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105146972
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine (CID 60721044) is 1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine is CC(NCCc1ccncc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is VAXKGCDUPXBASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11(13-3-2-10-16-13)15-9-6-12-4-7-14-8-5-12/h2-5,7-8,10-11,15H,6,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 60721044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).