2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol

C18H20BrNO2 — CID 141119514

IUPAC2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
SMILESCOc1ccc2c(c1O)CCN(CCc1ccc(Br)cc1)C2
InChIInChI=1S/C18H20BrNO2/c1-22-17-7-4-14-12-20(11-9-16(14)18(17)21)10-8-13-2-5-15(19)6-3-13/h2-7,21H,8-12H2,1H3
InChIKeyUGTJBCVPRSBVEX-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.76
Rot. Bonds4

About 2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol

2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol (PubChem CID 141119514) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
PubChem CID141119514
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
SMILESCOc1ccc2c(c1O)CCN(CCc1ccc(Br)cc1)C2
InChIInChI=1S/C18H20BrNO2/c1-22-17-7-4-14-12-20(11-9-16(14)18(17)21)10-8-13-2-5-15(19)6-3-13/h2-7,21H,8-12H2,1H3
InChIKeyUGTJBCVPRSBVEX-UHFFFAOYSA-N
XLogP3.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
CID 58602621
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 71281246
6-methoxy-8-(4-methylthiophen-2-yl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 71281106
2-bromo-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxyphenol
CID 2838540
4-[2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)ethyl]aniline
CID 19974556
2-[2-(4-tert-butylphenyl)ethyl]-5,8-dichloro-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 141119515
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
1-(4-aminophenyl)-3-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]urea
CID 44565509
4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline;hydrochloride
CID 21161757

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol (CID 141119514) is 2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol is COc1ccc2c(c1O)CCN(CCc1ccc(Br)cc1)C2.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol?
The InChIKey is UGTJBCVPRSBVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-22-17-7-4-14-12-20(11-9-16(14)18(17)21)10-8-13-2-5-15(19)6-3-13/h2-7,21H,8-12H2,1H3.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol?
2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol has a molecular weight of 362.27 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol is sourced from PubChem (CID 141119514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).