2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine

C15H22N2O — CID 114524212

IUPAC2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(CCC1CCCO1)CC2
InChIInChI=1S/C15H22N2O/c16-15-5-1-3-12-6-8-17(11-14(12)15)9-7-13-4-2-10-18-13/h1,3,5,13H,2,4,6-11,16H2
InChIKeyUEHRLJOLHMMLPS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.20
Rot. Bonds3

About 2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine

2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524212) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524212
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(CCC1CCCO1)CC2
InChIInChI=1S/C15H22N2O/c16-15-5-1-3-12-6-8-17(11-14(12)15)9-7-13-4-2-10-18-13/h1,3,5,13H,2,4,6-11,16H2
InChIKeyUEHRLJOLHMMLPS-UHFFFAOYSA-N
XLogP2.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524044
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine
CID 114456562
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxan-2-yl)ethanone
CID 114523259
1-(oxolan-2-ylmethyl)-2,3-dihydroindol-7-amine
CID 114456219
[2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 65160763
5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 154740370
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 61014916
1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one
CID 114523960
1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine
CID 114456010
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524219

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524212) is 2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine is Nc1cccc2c1CN(CCC1CCCO1)CC2.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is UEHRLJOLHMMLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-15-5-1-3-12-6-8-17(11-14(12)15)9-7-13-4-2-10-18-13/h1,3,5,13H,2,4,6-11,16H2.
What are the key properties of 2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine?
2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 246.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).