1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C16H23NO2 — CID 90335147

IUPAC1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COCC1CC1)CN1CCc2ccccc2C1
InChIInChI=1S/C16H23NO2/c18-16(12-19-11-13-5-6-13)10-17-8-7-14-3-1-2-4-15(14)9-17/h1-4,13,16,18H,5-12H2
InChIKeyOVKWNDBUOLGGTR-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.83
Rot. Bonds6

About 1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 90335147) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID90335147
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COCC1CC1)CN1CCc2ccccc2C1
InChIInChI=1S/C16H23NO2/c18-16(12-19-11-13-5-6-13)10-17-8-7-14-3-1-2-4-15(14)9-17/h1-4,13,16,18H,5-12H2
InChIKeyOVKWNDBUOLGGTR-UHFFFAOYSA-N
XLogP1.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 90335147) is 1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is OC(COCC1CC1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is OVKWNDBUOLGGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-16(12-19-11-13-5-6-13)10-17-8-7-14-3-1-2-4-15(14)9-17/h1-4,13,16,18H,5-12H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 90335147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).