(2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine

C15H23NO2 — CID 129423692

IUPAC(2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine
SMILESCCOC[C@H](C)N[C@H](C)[C@H]1COc2ccccc21
InChIInChI=1S/C15H23NO2/c1-4-17-9-11(2)16-12(3)14-10-18-15-8-6-5-7-13(14)15/h5-8,11-12,14,16H,4,9-10H2,1-3H3/t11-,12+,14+/m0/s1
InChIKeyOWDFZDKWYLCZHR-OUCADQQQSA-N
MW249.35 g/mol
LogP2.57
Rot. Bonds6

About (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine

(2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine (PubChem CID 129423692) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine
PubChem CID129423692
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine
SMILESCCOC[C@H](C)N[C@H](C)[C@H]1COc2ccccc21
InChIInChI=1S/C15H23NO2/c1-4-17-9-11(2)16-12(3)14-10-18-15-8-6-5-7-13(14)15/h5-8,11-12,14,16H,4,9-10H2,1-3H3/t11-,12+,14+/m0/s1
InChIKeyOWDFZDKWYLCZHR-OUCADQQQSA-N
XLogP2.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine with MolForge

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Related Compounds

1-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-(2-methylpropoxy)urea
CID 97326853
1-[(1S)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-(2-methylpropoxy)urea
CID 97326852
3-[1-(2,3-dihydro-1-benzofuran-3-yl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 86782007
(3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 97108176
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine
CID 124777899
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbutyl]hydrazine
CID 105262585
1-butan-2-yl-3-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110061075
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103275857
1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 86789866
(1R)-2-[[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-1-(4-fluorophenyl)ethanol
CID 99822644
[1-(2,3-dihydro-1-benzofuran-3-yl)-3-methylhexyl]hydrazine
CID 105262689

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine?
The IUPAC name of (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine (CID 129423692) is (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine.
What is the SMILES notation for (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine?
The canonical SMILES for (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine is CCOC[C@H](C)N[C@H](C)[C@H]1COc2ccccc21.
What is the InChIKey of (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine?
The InChIKey is OWDFZDKWYLCZHR-OUCADQQQSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-17-9-11(2)16-12(3)14-10-18-15-8-6-5-7-13(14)15/h5-8,11-12,14,16H,4,9-10H2,1-3H3/t11-,12+,14+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine?
(2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 129423692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).