1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride

C19H24ClNO2 — CID 2882944

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride
SMILESCl.OC(COCc1ccccc1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H23NO2.ClH/c21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20;/h1-9,19,21H,10-15H2;1H
InChIKeyPMKXWPSACWCNLO-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.04
Rot. Bonds6

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride (PubChem CID 2882944) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride
PubChem CID2882944
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride
SMILESCl.OC(COCc1ccccc1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H23NO2.ClH/c21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20;/h1-9,19,21H,10-15H2;1H
InChIKeyPMKXWPSACWCNLO-UHFFFAOYSA-N
XLogP3.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride (CID 2882944) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride is Cl.OC(COCc1ccccc1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
The InChIKey is PMKXWPSACWCNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20;/h1-9,19,21H,10-15H2;1H.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.04, 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-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2882944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).