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

C12H18N2 — CID 83963309

IUPACN-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
SMILESCCNCc1ccc2c(c1)CCNC2
InChIInChI=1S/C12H18N2/c1-2-13-8-10-3-4-12-9-14-6-5-11(12)7-10/h3-4,7,13-14H,2,5-6,8-9H2,1H3
InChIKeyLCJAXCJUKLYXCP-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.44
Rot. Bonds3

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

N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine (PubChem CID 83963309) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
PubChem CID83963309
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
SMILESCCNCc1ccc2c(c1)CCNC2
InChIInChI=1S/C12H18N2/c1-2-13-8-10-3-4-12-9-14-6-5-11(12)7-10/h3-4,7,13-14H,2,5-6,8-9H2,1H3
InChIKeyLCJAXCJUKLYXCP-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
(2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide
CID 167820235
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 115104802
2-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]propan-2-amine
CID 115104818
N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820
N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 115105026
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 164904797
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine (CID 83963309) is N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine is CCNCc1ccc2c(c1)CCNC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine?
The InChIKey is LCJAXCJUKLYXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-13-8-10-3-4-12-9-14-6-5-11(12)7-10/h3-4,7,13-14H,2,5-6,8-9H2,1H3.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine?
N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine is sourced from PubChem (CID 83963309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).