2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride

C17H18ClNO — CID 20500932

IUPAC2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride
SMILESCl.OCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C17H17NO.ClH/c19-11-10-15-12-14-8-4-5-9-16(14)17(18-15)13-6-2-1-3-7-13;/h1-9,15,19H,10-12H2;1H
InChIKeyPELPRNVPMDNJJZ-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.25
Rot. Bonds3

About 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride

2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride (PubChem CID 20500932) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride
PubChem CID20500932
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride
SMILESCl.OCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C17H17NO.ClH/c19-11-10-15-12-14-8-4-5-9-16(14)17(18-15)13-6-2-1-3-7-13;/h1-9,15,19H,10-12H2;1H
InChIKeyPELPRNVPMDNJJZ-UHFFFAOYSA-N
XLogP3.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride?
The IUPAC name of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride (CID 20500932) is 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride is Cl.OCCC1Cc2ccccc2C(c2ccccc2)=N1.
What is the InChIKey of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride?
The InChIKey is PELPRNVPMDNJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.ClH/c19-11-10-15-12-14-8-4-5-9-16(14)17(18-15)13-6-2-1-3-7-13;/h1-9,15,19H,10-12H2;1H.
What are the key properties of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride?
2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride is sourced from PubChem (CID 20500932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).