(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine

C15H15NO2 — CID 81403388

IUPAC(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
SMILESC[C@@H](NCc1cc2ccccc2o1)c1ccco1
InChIInChI=1S/C15H15NO2/c1-11(14-7-4-8-17-14)16-10-13-9-12-5-2-3-6-15(12)18-13/h2-9,11,16H,10H2,1H3/t11-/m1/s1
InChIKeyWHNVCZGOKAWWEE-LLVKDONJSA-N
MW241.29 g/mol
LogP3.88
Rot. Bonds4

About (1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine

(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine (PubChem CID 81403388) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
PubChem CID81403388
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
SMILESC[C@@H](NCc1cc2ccccc2o1)c1ccco1
InChIInChI=1S/C15H15NO2/c1-11(14-7-4-8-17-14)16-10-13-9-12-5-2-3-6-15(12)18-13/h2-9,11,16H,10H2,1H3/t11-/m1/s1
InChIKeyWHNVCZGOKAWWEE-LLVKDONJSA-N
XLogP3.88
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 28653087
N-(1-benzofuran-2-ylmethyl)furan-2-amine
CID 69320598
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81403007
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
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81403197
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271023

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine?
The IUPAC name of (1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine (CID 81403388) is (1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine is C[C@@H](NCc1cc2ccccc2o1)c1ccco1.
What is the InChIKey of (1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine?
The InChIKey is WHNVCZGOKAWWEE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11(14-7-4-8-17-14)16-10-13-9-12-5-2-3-6-15(12)18-13/h2-9,11,16H,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine?
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine has a molecular weight of 241.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81403388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).