6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride

C19H23BrClNO3 — CID 44531228

IUPAC6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride
SMILESCOc1ccc(OC)c(CC2c3ccc(Br)c(O)c3CCN2C)c1.Cl
InChIInChI=1S/C19H22BrNO3.ClH/c1-21-9-8-15-14(5-6-16(20)19(15)22)17(21)11-12-10-13(23-2)4-7-18(12)24-3;/h4-7,10,17,22H,8-9,11H2,1-3H3;1H
InChIKeyBHAYTQGFTOPMEZ-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.37
Rot. Bonds4

About 6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride

6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride (PubChem CID 44531228) has the molecular formula C19H23BrClNO3 and a molecular weight of 428.75 g/mol. Its IUPAC name is 6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride.

Molecular Properties

Compound Name6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride
PubChem CID44531228
Molecular FormulaC19H23BrClNO3
Molecular Weight428.75 g/mol
Exact Mass427.05
IUPAC Name6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride
SMILESCOc1ccc(OC)c(CC2c3ccc(Br)c(O)c3CCN2C)c1.Cl
InChIInChI=1S/C19H22BrNO3.ClH/c1-21-9-8-15-14(5-6-16(20)19(15)22)17(21)11-12-10-13(23-2)4-7-18(12)24-3;/h4-7,10,17,22H,8-9,11H2,1-3H3;1H
InChIKeyBHAYTQGFTOPMEZ-UHFFFAOYSA-N
XLogP4.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride?
The IUPAC name of 6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride (CID 44531228) is 6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride.
What is the SMILES notation for 6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride?
The canonical SMILES for 6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride is COc1ccc(OC)c(CC2c3ccc(Br)c(O)c3CCN2C)c1.Cl.
What is the InChIKey of 6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride?
The InChIKey is BHAYTQGFTOPMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3.ClH/c1-21-9-8-15-14(5-6-16(20)19(15)22)17(21)11-12-10-13(23-2)4-7-18(12)24-3;/h4-7,10,17,22H,8-9,11H2,1-3H3;1H.
What are the key properties of 6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride?
6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride has a molecular weight of 428.75 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol;hydrochloride is sourced from PubChem (CID 44531228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).