4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine

C15H24N2O — CID 116995755

IUPAC4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine
SMILESCOc1ccc2c(c1)C(CCC(C)N)N(C)CC2
InChIInChI=1S/C15H24N2O/c1-11(16)4-7-15-14-10-13(18-3)6-5-12(14)8-9-17(15)2/h5-6,10-11,15H,4,7-9,16H2,1-3H3
InChIKeyVZCGYRHZRKGYPD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.35
Rot. Bonds4

About 4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine

4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine (PubChem CID 116995755) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine
PubChem CID116995755
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine
SMILESCOc1ccc2c(c1)C(CCC(C)N)N(C)CC2
InChIInChI=1S/C15H24N2O/c1-11(16)4-7-15-14-10-13(18-3)6-5-12(14)8-9-17(15)2/h5-6,10-11,15H,4,7-9,16H2,1-3H3
InChIKeyVZCGYRHZRKGYPD-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995754
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
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
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropanoic acid
CID 116995688
3-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butanoic acid
CID 116995784
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
CID 116995809
2-amino-2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanol
CID 116995713
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-(methylamino)acetic acid
CID 116995834

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine?
The IUPAC name of 4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine (CID 116995755) is 4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine.
What is the SMILES notation for 4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine?
The canonical SMILES for 4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine is COc1ccc2c(c1)C(CCC(C)N)N(C)CC2.
What is the InChIKey of 4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine?
The InChIKey is VZCGYRHZRKGYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(16)4-7-15-14-10-13(18-3)6-5-12(14)8-9-17(15)2/h5-6,10-11,15H,4,7-9,16H2,1-3H3.
What are the key properties of 4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine?
4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine is sourced from PubChem (CID 116995755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).