2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine

C13H18N2O2 — CID 170029641

IUPAC2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2cc(OC3COC3)c(N)cc2C1
InChIInChI=1S/C13H18N2O2/c1-15-3-2-9-5-13(17-11-7-16-8-11)12(14)4-10(9)6-15/h4-5,11H,2-3,6-8,14H2,1H3
InChIKeyHKVGQDQNPMWUAF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.03
Rot. Bonds2

About 2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine

2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 170029641) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID170029641
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2cc(OC3COC3)c(N)cc2C1
InChIInChI=1S/C13H18N2O2/c1-15-3-2-9-5-13(17-11-7-16-8-11)12(14)4-10(9)6-15/h4-5,11H,2-3,6-8,14H2,1H3
InChIKeyHKVGQDQNPMWUAF-UHFFFAOYSA-N
XLogP1.03
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564645
2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine
CID 168846425
6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564878
7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84656604
5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201747
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
4-[(7-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721569
5-bromo-2-(oxetan-3-yloxy)aniline
CID 115669715
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide
CID 167049883
5-chloro-4-N-[2-dimethylphosphanyloxy-4-(oxetan-3-yloxy)phenyl]-2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrimidine-2,4-diamine
CID 170078648
6-amino-7-(1-methylpiperidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 61283217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine (CID 170029641) is 2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine is CN1CCc2cc(OC3COC3)c(N)cc2C1.
What is the InChIKey of 2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is HKVGQDQNPMWUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-3-2-9-5-13(17-11-7-16-8-11)12(14)4-10(9)6-15/h4-5,11H,2-3,6-8,14H2,1H3.
What are the key properties of 2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine?
2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 234.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 170029641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).