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

C12H18N2 — CID 115104867

IUPACN-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
SMILESCNCCC1NCCc2ccccc21
InChIInChI=1S/C12H18N2/c1-13-8-7-12-11-5-3-2-4-10(11)6-9-14-12/h2-5,12-14H,6-9H2,1H3
InChIKeySGTQLOSKOOLQIO-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.48
Rot. Bonds3

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

N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine (PubChem CID 115104867) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
PubChem CID115104867
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
SMILESCNCCC1NCCc2ccccc21
InChIInChI=1S/C12H18N2/c1-13-8-7-12-11-5-3-2-4-10(11)6-9-14-12/h2-5,12-14H,6-9H2,1H3
InChIKeySGTQLOSKOOLQIO-UHFFFAOYSA-N
XLogP1.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 12743117
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 92859849
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
(1R)-1-but-2-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 118274759
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 64905082
2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine
CID 103462256
1-[(2,5-dimethylpyrrol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 114284715
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine (CID 115104867) is N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine is CNCCC1NCCc2ccccc21.
What is the InChIKey of N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine?
The InChIKey is SGTQLOSKOOLQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-13-8-7-12-11-5-3-2-4-10(11)6-9-14-12/h2-5,12-14H,6-9H2,1H3.
What are the key properties of N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine?
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine is sourced from PubChem (CID 115104867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).