1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine

C16H25NO2 — CID 116715381

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(CC1OCCc2ccccc21)NC
InChIInChI=1S/C16H25NO2/c1-4-15(18-3)14(17-2)11-16-13-8-6-5-7-12(13)9-10-19-16/h5-8,14-17H,4,9-11H2,1-3H3
InChIKeyQRDCUIPXSLEXLE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.70
Rot. Bonds6

About 1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine

1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine (PubChem CID 116715381) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine
PubChem CID116715381
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(CC1OCCc2ccccc21)NC
InChIInChI=1S/C16H25NO2/c1-4-15(18-3)14(17-2)11-16-13-8-6-5-7-12(13)9-10-19-16/h5-8,14-17H,4,9-11H2,1-3H3
InChIKeyQRDCUIPXSLEXLE-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
CID 114984660
1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine
CID 116716259
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)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 114983746
1-(3,4-dihydro-1H-isochromen-1-yl)-5-ethoxy-N-methylpentan-2-amine
CID 114984422
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)pentan-2-one
CID 79428811
[1-cyclopropyl-3-(3,4-dihydro-1H-isochromen-1-yl)-1-ethoxypropan-2-yl]hydrazine
CID 114984946
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)-5-methoxypentan-2-amine
CID 65091802
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 114984434

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine (CID 116715381) is 1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine is CCC(OC)C(CC1OCCc2ccccc21)NC.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine?
The InChIKey is QRDCUIPXSLEXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-15(18-3)14(17-2)11-16-13-8-6-5-7-12(13)9-10-19-16/h5-8,14-17H,4,9-11H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine?
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.70, 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)-3-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 116715381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).