2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol

C12H16BrNO — CID 110457355

IUPAC2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
SMILESCc1cc(Br)c2c(c1)CN(CCO)CC2
InChIInChI=1S/C12H16BrNO/c1-9-6-10-8-14(4-5-15)3-2-11(10)12(13)7-9/h6-7,15H,2-5,8H2,1H3
InChIKeyYCUCMPMKYLNSLM-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.11
Rot. Bonds2

About 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol

2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol (PubChem CID 110457355) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
PubChem CID110457355
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
SMILESCc1cc(Br)c2c(c1)CN(CCO)CC2
InChIInChI=1S/C12H16BrNO/c1-9-6-10-8-14(4-5-15)3-2-11(10)12(13)7-9/h6-7,15H,2-5,8H2,1H3
InChIKeyYCUCMPMKYLNSLM-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110457354
2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
CID 110457131
2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 82581888
2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol
CID 131133727
7-bromo-2-(2-chloroethyl)-5-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 163208204
2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol
CID 170696368
2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol
CID 82164047
3-(7-bromo-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanal
CID 155457652
1-[2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrimidin-2-one
CID 136533500
methyl 2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 82582407
6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 89043863
2-[2-[2-(6-bromo-8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethoxy]ethanol
CID 166304128

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol (CID 110457355) is 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol is Cc1cc(Br)c2c(c1)CN(CCO)CC2.
What is the InChIKey of 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
The InChIKey is YCUCMPMKYLNSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9-6-10-8-14(4-5-15)3-2-11(10)12(13)7-9/h6-7,15H,2-5,8H2,1H3.
What are the key properties of 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol has a molecular weight of 270.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanol is sourced from PubChem (CID 110457355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).