(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine

C11H16N2 — CID 105436631

IUPAC(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
SMILESCc1cccc2c1CNC(CN)C2
InChIInChI=1S/C11H16N2/c1-8-3-2-4-9-5-10(6-12)13-7-11(8)9/h2-4,10,13H,5-7,12H2,1H3
InChIKeyYUTCHYKOUHKXKB-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.97
Rot. Bonds1

About (8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine

(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine (PubChem CID 105436631) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
PubChem CID105436631
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
SMILESCc1cccc2c1CNC(CN)C2
InChIInChI=1S/C11H16N2/c1-8-3-2-4-9-5-10(6-12)13-7-11(8)9/h2-4,10,13H,5-7,12H2,1H3
InChIKeyYUTCHYKOUHKXKB-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
The IUPAC name of (8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine (CID 105436631) is (8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine.
What is the SMILES notation for (8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
The canonical SMILES for (8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine is Cc1cccc2c1CNC(CN)C2.
What is the InChIKey of (8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
The InChIKey is YUTCHYKOUHKXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-3-2-4-9-5-10(6-12)13-7-11(8)9/h2-4,10,13H,5-7,12H2,1H3.
What are the key properties of (8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine has a molecular weight of 176.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine is sourced from PubChem (CID 105436631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).