1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine

C15H23NO2 — CID 65091802

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)CC1OCCc2ccccc21
InChIInChI=1S/C15H23NO2/c1-17-9-4-6-13(16)11-15-14-7-3-2-5-12(14)8-10-18-15/h2-3,5,7,13,15H,4,6,8-11,16H2,1H3
InChIKeyPHRUUOACSNBEIC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.44
Rot. Bonds6

About 1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine

1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine (PubChem CID 65091802) 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)-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine
PubChem CID65091802
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)CC1OCCc2ccccc21
InChIInChI=1S/C15H23NO2/c1-17-9-4-6-13(16)11-15-14-7-3-2-5-12(14)8-10-18-15/h2-3,5,7,13,15H,4,6,8-11,16H2,1H3
InChIKeyPHRUUOACSNBEIC-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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)-3-propan-2-yloxypropan-2-amine
CID 114984419
1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 114984434
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)-5-ethoxy-N-methylpentan-2-amine
CID 114984422
1-(3,4-dihydro-1H-isochromen-1-yl)-4-ethoxybutan-2-ol
CID 114983995
1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758470
1-(3,4-dihydro-1H-isochromen-1-yl)heptan-1-amine
CID 105125796
1-cyclopentylsulfanyl-3-(3,4-dihydro-1H-isochromen-1-yl)propan-2-amine
CID 65138924
1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine
CID 116716259
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine
CID 116715381

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine (CID 65091802) is 1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine is COCCCC(N)CC1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine?
The InChIKey is PHRUUOACSNBEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-9-4-6-13(16)11-15-14-7-3-2-5-12(14)8-10-18-15/h2-3,5,7,13,15H,4,6,8-11,16H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine?
1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.44, 6 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)-5-methoxypentan-2-amine is sourced from PubChem (CID 65091802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).