1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol

C21H27NO2 — CID 143161512

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol
SMILESCO.Cc1ccc(C(C)(C)C(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C20H23NO.CH4O/c1-15-8-10-18(11-9-15)20(2,3)19(22)21-13-12-16-6-4-5-7-17(16)14-21;1-2/h4-11H,12-14H2,1-3H3;2H,1H3
InChIKeyGYQNYMLTBDDPSV-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.47
Rot. Bonds2

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol (PubChem CID 143161512) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol
PubChem CID143161512
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol
SMILESCO.Cc1ccc(C(C)(C)C(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C20H23NO.CH4O/c1-15-8-10-18(11-9-15)20(2,3)19(22)21-13-12-16-6-4-5-7-17(16)14-21;1-2/h4-11H,12-14H2,1-3H3;2H,1H3
InChIKeyGYQNYMLTBDDPSV-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 5197459
2-bromo-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 71668783
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(methylamino)propan-1-one
CID 62834313
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
CID 615216
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959834
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one
CID 60846487
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 2506553
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120666503
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-2,2-dimethyl-3-oxopropanamide
CID 108963943
1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168579

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol (CID 143161512) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol is CO.Cc1ccc(C(C)(C)C(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol?
The InChIKey is GYQNYMLTBDDPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.CH4O/c1-15-8-10-18(11-9-15)20(2,3)19(22)21-13-12-16-6-4-5-7-17(16)14-21;1-2/h4-11H,12-14H2,1-3H3;2H,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol has a molecular weight of 325.45 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol is sourced from PubChem (CID 143161512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).