(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine

C13H17NO2 — CID 81403007

IUPAC(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCCc1ccc(CN[C@@H](C)c2ccco2)o1
InChIInChI=1S/C13H17NO2/c1-3-11-6-7-12(16-11)9-14-10(2)13-5-4-8-15-13/h4-8,10,14H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyQSVNBQRUBFURAF-JTQLQIEISA-N
MW219.28 g/mol
LogP3.29
Rot. Bonds5

About (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine

(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 81403007) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID81403007
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCCc1ccc(CN[C@@H](C)c2ccco2)o1
InChIInChI=1S/C13H17NO2/c1-3-11-6-7-12(16-11)9-14-10(2)13-5-4-8-15-13/h4-8,10,14H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyQSVNBQRUBFURAF-JTQLQIEISA-N
XLogP3.29
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 62346680
(1R)-1-(furan-2-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81402622
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403388
methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81400076
(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397924
(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 81372648
N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
CID 62347372
(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine
CID 59084778
3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
CID 63842434
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 103605606

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine (CID 81403007) is (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine is CCc1ccc(CN[C@@H](C)c2ccco2)o1.
What is the InChIKey of (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is QSVNBQRUBFURAF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-11-6-7-12(16-11)9-14-10(2)13-5-4-8-15-13/h4-8,10,14H,3,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine?
(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 219.28 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81403007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).