(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine

C12H15NO2 — CID 30111067

IUPAC(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc([C@H](C)NCc2ccco2)o1
InChIInChI=1S/C12H15NO2/c1-9-5-6-12(15-9)10(2)13-8-11-4-3-7-14-11/h3-7,10,13H,8H2,1-2H3/t10-/m0/s1
InChIKeyYLYQGQXWDABQLT-JTQLQIEISA-N
MW205.26 g/mol
LogP3.03
Rot. Bonds4

About (1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine

(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 30111067) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
PubChem CID30111067
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc([C@H](C)NCc2ccco2)o1
InChIInChI=1S/C12H15NO2/c1-9-5-6-12(15-9)10(2)13-8-11-4-3-7-14-11/h3-7,10,13H,8H2,1-2H3/t10-/m0/s1
InChIKeyYLYQGQXWDABQLT-JTQLQIEISA-N
XLogP3.03
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(furan-2-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81402622
[3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenyl]methanol
CID 113261251
N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43178081
N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624876
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine
CID 19626620
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736
N-(furan-2-ylmethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 43754949
N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 62346680
(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81403007
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of (1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine (CID 30111067) is (1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for (1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc([C@H](C)NCc2ccco2)o1.
What is the InChIKey of (1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is YLYQGQXWDABQLT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-5-6-12(15-9)10(2)13-8-11-4-3-7-14-11/h3-7,10,13H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 205.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 30111067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).