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

C16H24N2O — CID 65160763

IUPAC[2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESNCC1c2ccccc2CCN1CCC1CCCO1
InChIInChI=1S/C16H24N2O/c17-12-16-15-6-2-1-4-13(15)7-9-18(16)10-8-14-5-3-11-19-14/h1-2,4,6,14,16H,3,5,7-12,17H2
InChIKeySVUSIVHKKXCJIY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.11
Rot. Bonds4

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

[2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 65160763) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID65160763
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESNCC1c2ccccc2CCN1CCC1CCCO1
InChIInChI=1S/C16H24N2O/c17-12-16-15-6-2-1-4-13(15)7-9-18(16)10-8-14-5-3-11-19-14/h1-2,4,6,14,16H,3,5,7-12,17H2
InChIKeySVUSIVHKKXCJIY-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524212
1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one
CID 82898976
[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 114528295
[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 63949433
N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 54917499
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide
CID 63947796
[2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 63948415
[2-[(3,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 105404068
6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65166206
N-methyl-6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 65162668
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 65167319
[2-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 102856242

Frequently Asked Questions

What is the IUPAC name of [2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 65160763) is [2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is NCC1c2ccccc2CCN1CCC1CCCO1.
What is the InChIKey of [2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is SVUSIVHKKXCJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-12-16-15-6-2-1-4-13(15)7-9-18(16)10-8-14-5-3-11-19-14/h1-2,4,6,14,16H,3,5,7-12,17H2.
What are the key properties of [2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.11, 4 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-1-yl]methanamine is sourced from PubChem (CID 65160763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).