N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine

C13H20N2 — CID 105456803

IUPACN-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
SMILESCCNCC1Cc2cc(C)ccc2CN1
InChIInChI=1S/C13H20N2/c1-3-14-9-13-7-12-6-10(2)4-5-11(12)8-15-13/h4-6,13-15H,3,7-9H2,1-2H3
InChIKeyUAHNKEKMXHZLGY-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.62
Rot. Bonds3

About N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine

N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine (PubChem CID 105456803) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
PubChem CID105456803
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
SMILESCCNCC1Cc2cc(C)ccc2CN1
InChIInChI=1S/C13H20N2/c1-3-14-9-13-7-12-6-10(2)4-5-11(12)8-15-13/h4-6,13-15H,3,7-9H2,1-2H3
InChIKeyUAHNKEKMXHZLGY-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84718259
N-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105462031
N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105456793
(7-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol;hydrochloride
CID 91928406
3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 123699781
N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105462026
3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 105446246
3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene
CID 145489428
6-bromo-3-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
CID 133054244
6-methyl-1,2,3,4-tetrahydrophthalazine
CID 142250671
methyl 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105480345
benzyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684368

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine (CID 105456803) is N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine is CCNCC1Cc2cc(C)ccc2CN1.
What is the InChIKey of N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
The InChIKey is UAHNKEKMXHZLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-14-9-13-7-12-6-10(2)4-5-11(12)8-15-13/h4-6,13-15H,3,7-9H2,1-2H3.
What are the key properties of N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine is sourced from PubChem (CID 105456803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).