5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol

C16H25NO2 — CID 106144670

IUPAC5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNC1COCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-16(2,8-5-9-18)12-17-15-11-19-10-13-6-3-4-7-14(13)15/h3-4,6-7,15,17-18H,5,8-12H2,1-2H3
InChIKeyZHGFRUSZCBOOTP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.65
Rot. Bonds6

About 5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol

5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106144670) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID106144670
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNC1COCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-16(2,8-5-9-18)12-17-15-11-19-10-13-6-3-4-7-14(13)15/h3-4,6-7,15,17-18H,5,8-12H2,1-2H3
InChIKeyZHGFRUSZCBOOTP-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol (CID 106144670) is 5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNC1COCc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is ZHGFRUSZCBOOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,8-5-9-18)12-17-15-11-19-10-13-6-3-4-7-14(13)15/h3-4,6-7,15,17-18H,5,8-12H2,1-2H3.
What are the key properties of 5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol?
5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106144670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).