1,2,3,4-tetrahydroisoquinolin-1-ylmethanol

C10H13NO — CID 51358587

IUPAC1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
SMILESOCC1NCCc2ccccc21
InChIInChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2
InChIKeyBGGIPVPHBWWEJT-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.87
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinolin-1-ylmethanol

1,2,3,4-tetrahydroisoquinolin-1-ylmethanol (PubChem CID 51358587) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-1-ylmethanol.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
PubChem CID51358587
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
SMILESOCC1NCCc2ccccc21
InChIInChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2
InChIKeyBGGIPVPHBWWEJT-UHFFFAOYSA-N
XLogP0.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 64905082
(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 92859849
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96993138
(1R)-1-but-2-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 118274759
1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 12743117
(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 83358890
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinolin-1-ylmethanol?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-1-ylmethanol (CID 51358587) is 1,2,3,4-tetrahydroisoquinolin-1-ylmethanol.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-1-ylmethanol?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-1-ylmethanol is OCC1NCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-1-ylmethanol?
The InChIKey is BGGIPVPHBWWEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-1-ylmethanol?
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol has a molecular weight of 163.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinolin-1-ylmethanol is sourced from PubChem (CID 51358587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).