[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol

C10H12BrNO — CID 96994557

IUPAC[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
SMILESOC[C@@H]1NCCc2c(Br)cccc21
InChIInChI=1S/C10H12BrNO/c11-9-3-1-2-8-7(9)4-5-12-10(8)6-13/h1-3,10,12-13H,4-6H2/t10-/m0/s1
InChIKeyCIEONVMAFJNKPK-JTQLQIEISA-N
MW242.12 g/mol
LogP1.63
Rot. Bonds1

About [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol

[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol (PubChem CID 96994557) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
PubChem CID96994557
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
SMILESOC[C@@H]1NCCc2c(Br)cccc21
InChIInChI=1S/C10H12BrNO/c11-9-3-1-2-8-7(9)4-5-12-10(8)6-13/h1-3,10,12-13H,4-6H2/t10-/m0/s1
InChIKeyCIEONVMAFJNKPK-JTQLQIEISA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol 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

[(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 130607756
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794
[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96993138
[(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130900884
5-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 62374078
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
1,4-dibromo-2,3-dihydro-1H-indene
CID 63272450
2-bromo-6-piperidin-4-ylphenol
CID 82623407
N-[1-(iodomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]acetamide
CID 68879930
2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 82379309
[(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130703927

Frequently Asked Questions

What is the IUPAC name of [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
The IUPAC name of [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol (CID 96994557) is [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol.
What is the SMILES notation for [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
The canonical SMILES for [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol is OC[C@@H]1NCCc2c(Br)cccc21.
What is the InChIKey of [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
The InChIKey is CIEONVMAFJNKPK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-3-1-2-8-7(9)4-5-12-10(8)6-13/h1-3,10,12-13H,4-6H2/t10-/m0/s1.
What are the key properties of [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol has a molecular weight of 242.12 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol is sourced from PubChem (CID 96994557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).