2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine

C22H26N2O — CID 69049788

IUPAC2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ccc2c(c1)CN(C)CC2c1cc2ccccc2o1
InChIInChI=1S/C22H26N2O/c1-22(2,23-3)17-9-10-18-16(11-17)13-24(4)14-19(18)21-12-15-7-5-6-8-20(15)25-21/h5-12,19,23H,13-14H2,1-4H3
InChIKeyCRLVHCNKEDVSOQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.46
Rot. Bonds3

About 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine

2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine (PubChem CID 69049788) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine
PubChem CID69049788
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ccc2c(c1)CN(C)CC2c1cc2ccccc2o1
InChIInChI=1S/C22H26N2O/c1-22(2,23-3)17-9-10-18-16(11-17)13-24(4)14-19(18)21-12-15-7-5-6-8-20(15)25-21/h5-12,19,23H,13-14H2,1-4H3
InChIKeyCRLVHCNKEDVSOQ-UHFFFAOYSA-N
XLogP4.46
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine with MolForge

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Related Compounds

2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole
CID 68997752
4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
CID 68998969
4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997108
2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine
CID 69000880
4-(1-benzofuran-2-yl)-8-fluoro-2-methyl-7-pyridazin-4-yl-3,4-dihydro-1H-isoquinoline
CID 69001523
4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68998758
3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide
CID 173415568
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
CID 82128928
2-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N,N-dimethylpropan-2-amine
CID 68994368
2-(1-benzofuran-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 80604441
4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
CID 68995959

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine (CID 69049788) is 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine is CNC(C)(C)c1ccc2c(c1)CN(C)CC2c1cc2ccccc2o1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine?
The InChIKey is CRLVHCNKEDVSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-22(2,23-3)17-9-10-18-16(11-17)13-24(4)14-19(18)21-12-15-7-5-6-8-20(15)25-21/h5-12,19,23H,13-14H2,1-4H3.
What are the key properties of 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine?
2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine has a molecular weight of 334.46 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 69049788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).