(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol

C11H15NO — CID 83358890

IUPAC(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
SMILESCc1ccc2c(c1)C(CO)NCC2
InChIInChI=1S/C11H15NO/c1-8-2-3-9-4-5-12-11(7-13)10(9)6-8/h2-3,6,11-13H,4-5,7H2,1H3
InChIKeyJYAIJMABZNAADM-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.17
Rot. Bonds1

About (7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol

(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol (PubChem CID 83358890) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol.

Molecular Properties

Compound Name(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
PubChem CID83358890
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
SMILESCc1ccc2c(c1)C(CO)NCC2
InChIInChI=1S/C11H15NO/c1-8-2-3-9-4-5-12-11(7-13)10(9)6-8/h2-3,6,11-13H,4-5,7H2,1H3
InChIKeyJYAIJMABZNAADM-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130741067
1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 119082441
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 67158558
(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
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
(8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol
CID 165458581
1-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 83365715
(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 589411
4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96995480
methyl 2-(6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 105474196

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The IUPAC name of (7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol (CID 83358890) is (7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol.
What is the SMILES notation for (7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The canonical SMILES for (7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol is Cc1ccc2c(c1)C(CO)NCC2.
What is the InChIKey of (7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The InChIKey is JYAIJMABZNAADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-2-3-9-4-5-12-11(7-13)10(9)6-8/h2-3,6,11-13H,4-5,7H2,1H3.
What are the key properties of (7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol has a molecular weight of 177.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol is sourced from PubChem (CID 83358890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).