2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine

C11H17N3 — CID 82581881

IUPAC2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNCCN1CCc2cccc(N)c2C1
InChIInChI=1S/C11H17N3/c12-5-7-14-6-4-9-2-1-3-11(13)10(9)8-14/h1-3H,4-8,12-13H2
InChIKeyFVIDYIBIMHYQMX-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.59
Rot. Bonds2

About 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 82581881) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID82581881
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNCCN1CCc2cccc(N)c2C1
InChIInChI=1S/C11H17N3/c12-5-7-14-6-4-9-2-1-3-11(13)10(9)8-14/h1-3H,4-8,12-13H2
InChIKeyFVIDYIBIMHYQMX-UHFFFAOYSA-N
XLogP0.59
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279835
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one
CID 114523960
3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione
CID 114523973
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524212
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524044
2-[(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522016
ethyl 6-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)hexanoate
CID 114524193
2-[(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 102841985
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-2-ol
CID 114524064
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 82581881) is 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine is NCCN1CCc2cccc(N)c2C1.
What is the InChIKey of 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is FVIDYIBIMHYQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-5-7-14-6-4-9-2-1-3-11(13)10(9)8-14/h1-3H,4-8,12-13H2.
What are the key properties of 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 191.28 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 82581881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).