3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine

C15H22N2O — CID 116995675

IUPAC3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine
SMILESCOc1ccc2c(c1)CCN(C)C2C1CC(N)C1
InChIInChI=1S/C15H22N2O/c1-17-6-5-10-9-13(18-2)3-4-14(10)15(17)11-7-12(16)8-11/h3-4,9,11-12,15H,5-8,16H2,1-2H3
InChIKeyLBXFJQUCGLFHTQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds2

About 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine

3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine (PubChem CID 116995675) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine
PubChem CID116995675
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine
SMILESCOc1ccc2c(c1)CCN(C)C2C1CC(N)C1
InChIInChI=1S/C15H22N2O/c1-17-6-5-10-9-13(18-2)3-4-14(10)15(17)11-7-12(16)8-11/h3-4,9,11-12,15H,5-8,16H2,1-2H3
InChIKeyLBXFJQUCGLFHTQ-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline
CID 116995669
2-amino-2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanol
CID 116995713
(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 125495690
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995793
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995657
2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-3-methylbutan-1-amine
CID 116995732
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol
CID 116995680
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 122468703
N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]propan-2-amine
CID 116995663
N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]cyclopropanamine
CID 116995664
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine (CID 116995675) is 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine is COc1ccc2c(c1)CCN(C)C2C1CC(N)C1.
What is the InChIKey of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine?
The InChIKey is LBXFJQUCGLFHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-6-5-10-9-13(18-2)3-4-14(10)15(17)11-7-12(16)8-11/h3-4,9,11-12,15H,5-8,16H2,1-2H3.
What are the key properties of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine?
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 116995675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).