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

C13H20N2 — CID 115104816

IUPACN-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine
SMILESCCNCCc1ccc2c(c1)CCNC2
InChIInChI=1S/C13H20N2/c1-2-14-7-5-11-3-4-13-10-15-8-6-12(13)9-11/h3-4,9,14-15H,2,5-8,10H2,1H3
InChIKeyHAJZHZTVSNFGNF-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.48
Rot. Bonds4

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

N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine (PubChem CID 115104816) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine
PubChem CID115104816
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine
SMILESCCNCCc1ccc2c(c1)CCNC2
InChIInChI=1S/C13H20N2/c1-2-14-7-5-11-3-4-13-10-15-8-6-12(13)9-11/h3-4,9,14-15H,2,5-8,10H2,1H3
InChIKeyHAJZHZTVSNFGNF-UHFFFAOYSA-N
XLogP1.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309
2-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]propan-2-amine
CID 115104818
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 115105026
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
CID 87482046
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine
CID 168764165
N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine
CID 115105185
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 115104802
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine (CID 115104816) is N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine is CCNCCc1ccc2c(c1)CCNC2.
What is the InChIKey of N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine?
The InChIKey is HAJZHZTVSNFGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-14-7-5-11-3-4-13-10-15-8-6-12(13)9-11/h3-4,9,14-15H,2,5-8,10H2,1H3.
What are the key properties of N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine?
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine is sourced from PubChem (CID 115104816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).