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

C15H24N2O — CID 116995657

IUPAC3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2c(c1)CCN(C)C2CC(C)CN
InChIInChI=1S/C15H24N2O/c1-11(10-16)8-15-14-5-4-13(18-3)9-12(14)6-7-17(15)2/h4-5,9,11,15H,6-8,10,16H2,1-3H3
InChIKeyCIAVEYKNYUMCRM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.21
Rot. Bonds4

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

3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine (PubChem CID 116995657) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
PubChem CID116995657
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2c(c1)CCN(C)C2CC(C)CN
InChIInChI=1S/C15H24N2O/c1-11(10-16)8-15-14-5-4-13(18-3)9-12(14)6-7-17(15)2/h4-5,9,11,15H,6-8,10,16H2,1-3H3
InChIKeyCIAVEYKNYUMCRM-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropanoic acid
CID 116995688
2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-3-methylbutan-1-amine
CID 116995732
N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]propan-2-amine
CID 116995663
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol
CID 116995680
N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]cyclopropanamine
CID 116995664
2-amino-2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanol
CID 116995713
4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine
CID 116995755
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclobutan-1-amine
CID 116995675
6-methoxy-2-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 22960586
4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline
CID 1238859

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine (CID 116995657) is 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine is COc1ccc2c(c1)CCN(C)C2CC(C)CN.
What is the InChIKey of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine?
The InChIKey is CIAVEYKNYUMCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(10-16)8-15-14-5-4-13(18-3)9-12(14)6-7-17(15)2/h4-5,9,11,15H,6-8,10,16H2,1-3H3.
What are the key properties of 3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine?
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.21, 4 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)-2-methylpropan-1-amine is sourced from PubChem (CID 116995657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).