(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine

C13H16N2O — CID 81405518

IUPAC(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@@H](C)c1ccncc1)c1ccco1
InChIInChI=1S/C13H16N2O/c1-10(12-5-7-14-8-6-12)15-11(2)13-4-3-9-16-13/h3-11,15H,1-2H3/t10-,11?/m0/s1
InChIKeyCIHNZHHWWJMXOT-VUWPPUDQSA-N
MW216.28 g/mol
LogP3.09
Rot. Bonds4

About (1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine

(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 81405518) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID81405518
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@@H](C)c1ccncc1)c1ccco1
InChIInChI=1S/C13H16N2O/c1-10(12-5-7-14-8-6-12)15-11(2)13-4-3-9-16-13/h3-11,15H,1-2H3/t10-,11?/m0/s1
InChIKeyCIHNZHHWWJMXOT-VUWPPUDQSA-N
XLogP3.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81402901
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81301586
5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706935
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 81403263

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine (CID 81405518) is (1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine is CC(N[C@@H](C)c1ccncc1)c1ccco1.
What is the InChIKey of (1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is CIHNZHHWWJMXOT-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(12-5-7-14-8-6-12)15-11(2)13-4-3-9-16-13/h3-11,15H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine?
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 216.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81405518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).