2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine

C17H26N2O — CID 114522189

IUPAC2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(C)C1CC(N2CCc3cccc(N)c3C2)CCO1
InChIInChI=1S/C17H26N2O/c1-12(2)17-10-14(7-9-20-17)19-8-6-13-4-3-5-16(18)15(13)11-19/h3-5,12,14,17H,6-11,18H2,1-2H3
InChIKeyZHYIOWLDCHPNNY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds2

About 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114522189) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114522189
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCC(C)C1CC(N2CCc3cccc(N)c3C2)CCO1
InChIInChI=1S/C17H26N2O/c1-12(2)17-10-14(7-9-20-17)19-8-6-13-4-3-5-16(18)15(13)11-19/h3-5,12,14,17H,6-11,18H2,1-2H3
InChIKeyZHYIOWLDCHPNNY-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine with MolForge

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Related Compounds

2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522652
2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 107429453
2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524173
2-(1-ethylazepan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522276
2-[3-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522616
2-(1,1-dioxothian-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522543
2-[4-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522338
2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 103563697
2-(2-methylthian-3-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522069
3-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-methylpyrrolidin-2-one
CID 114523980
2-(1-azabicyclo[2.2.2]octan-3-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522103
2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 106822833

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114522189) is 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine is CC(C)C1CC(N2CCc3cccc(N)c3C2)CCO1.
What is the InChIKey of 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is ZHYIOWLDCHPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)17-10-14(7-9-20-17)19-8-6-13-4-3-5-16(18)15(13)11-19/h3-5,12,14,17H,6-11,18H2,1-2H3.
What are the key properties of 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114522189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).