2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine

C18H23NO2 — CID 114983746

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(CC2OCCc3ccccc32)NC)o1
InChIInChI=1S/C18H23NO2/c1-3-14-8-9-17(21-14)16(19-2)12-18-15-7-5-4-6-13(15)10-11-20-18/h4-9,16,18-19H,3,10-12H2,1-2H3
InChIKeyZVHDZQMLLPRCMA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds5

About 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine

2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine (PubChem CID 114983746) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
PubChem CID114983746
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(CC2OCCc3ccccc32)NC)o1
InChIInChI=1S/C18H23NO2/c1-3-14-8-9-17(21-14)16(19-2)12-18-15-7-5-4-6-13(15)10-11-20-18/h4-9,16,18-19H,3,10-12H2,1-2H3
InChIKeyZVHDZQMLLPRCMA-UHFFFAOYSA-N
XLogP3.81
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 114984474
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 114983670
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine
CID 116715381
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132060
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 114983786
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 114983702
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135069
1-(3,4-dihydro-1H-isochromen-1-yl)-5-ethoxy-N-methylpentan-2-amine
CID 114984422
N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine
CID 14141282
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)pentan-2-one
CID 79428811
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
CID 114984660

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine (CID 114983746) is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine is CCc1ccc(C(CC2OCCc3ccccc32)NC)o1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
The InChIKey is ZVHDZQMLLPRCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-14-8-9-17(21-14)16(19-2)12-18-15-7-5-4-6-13(15)10-11-20-18/h4-9,16,18-19H,3,10-12H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 114983746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).