1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine

C15H23NO2 — CID 114984419

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)CC1OCCc2ccccc21
InChIInChI=1S/C15H23NO2/c1-11(2)18-10-13(16)9-15-14-6-4-3-5-12(14)7-8-17-15/h3-6,11,13,15H,7-10,16H2,1-2H3
InChIKeyGBQRHXUZTBVWBS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.44
Rot. Bonds5

About 1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine

1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine (PubChem CID 114984419) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine
PubChem CID114984419
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)CC1OCCc2ccccc21
InChIInChI=1S/C15H23NO2/c1-11(2)18-10-13(16)9-15-14-6-4-3-5-12(14)7-8-17-15/h3-6,11,13,15H,7-10,16H2,1-2H3
InChIKeyGBQRHXUZTBVWBS-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 114984434
3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093089
1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine
CID 65091802
1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine
CID 116716259
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 114983702
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylhexan-2-amine
CID 114983674
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
CID 114984660
3-cyclopropyl-1-(3,4-dihydro-1H-isochromen-1-yl)butan-2-ol
CID 115809715
1-cyclopentylsulfanyl-3-(3,4-dihydro-1H-isochromen-1-yl)propan-2-amine
CID 65138924
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 114985326
N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine
CID 14141282
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 114983768

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine (CID 114984419) is 1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine is CC(C)OCC(N)CC1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is GBQRHXUZTBVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)18-10-13(16)9-15-14-6-4-3-5-12(14)7-8-17-15/h3-6,11,13,15H,7-10,16H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine?
1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 114984419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).