N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine

C13H20N2 — CID 143985819

IUPACN-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
SMILESCCN(C)Cc1ccc2c(c1)CCNC2
InChIInChI=1S/C13H20N2/c1-3-15(2)10-11-4-5-13-9-14-7-6-12(13)8-11/h4-5,8,14H,3,6-7,9-10H2,1-2H3
InChIKeyJEJYTPJKXSLDHZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.78
Rot. Bonds3

About N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine

N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine (PubChem CID 143985819) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
PubChem CID143985819
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
SMILESCCN(C)Cc1ccc2c(c1)CCNC2
InChIInChI=1S/C13H20N2/c1-3-15(2)10-11-4-5-13-9-14-7-6-12(13)8-11/h4-5,8,14H,3,6-7,9-10H2,1-2H3
InChIKeyJEJYTPJKXSLDHZ-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine
CID 136555636
N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 103998409
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine
CID 115104816
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
CID 87482046
N-methyl-1-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)butan-2-amine
CID 112660977
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
N-[(7-ethyl-9H-fluoren-2-yl)methyl]-N-methylethanamine
CID 170383446
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
CID 114396701
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine?
The IUPAC name of N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine (CID 143985819) is N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine is CCN(C)Cc1ccc2c(c1)CCNC2.
What is the InChIKey of N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine?
The InChIKey is JEJYTPJKXSLDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15(2)10-11-4-5-13-9-14-7-6-12(13)8-11/h4-5,8,14H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine?
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine is sourced from PubChem (CID 143985819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).