5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one

C20H23NO2 — CID 54098619

IUPAC5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)C(N(C)CCc1ccccc1)C(C)C2=O
InChIInChI=1S/C20H23NO2/c1-14-19(21(2)12-11-15-7-5-4-6-8-15)18-13-16(23-3)9-10-17(18)20(14)22/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyMYYFQCJAFATHBZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.74
Rot. Bonds5

About 5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one

5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one (PubChem CID 54098619) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one
PubChem CID54098619
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)C(N(C)CCc1ccccc1)C(C)C2=O
InChIInChI=1S/C20H23NO2/c1-14-19(21(2)12-11-15-7-5-4-6-8-15)18-13-16(23-3)9-10-17(18)20(14)22/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyMYYFQCJAFATHBZ-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-3-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 54329755
6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 114673944
(4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one
CID 101347940
3-benzyl-7-methoxy-2,2-dioxo-1,2λ6-benzoxathiin-4-one
CID 56930675
2-benzyl-7-methoxy-1-methyl-1,3-dihydroisoquinolin-4-one
CID 134913566
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine;hydrochloride
CID 67867574
7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
CID 11151459
2-amino-5-methoxy-N-methyl-N-(2-phenylethyl)benzamide
CID 61110256
2-[5-methoxy-2-[[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]methyl]phenyl]-5-oxooxolane-3-carboxylic acid
CID 22451798
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
CID 68942642
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one?
The IUPAC name of 5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one (CID 54098619) is 5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one is COc1ccc2c(c1)C(N(C)CCc1ccccc1)C(C)C2=O.
What is the InChIKey of 5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one?
The InChIKey is MYYFQCJAFATHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-19(21(2)12-11-15-7-5-4-6-8-15)18-13-16(23-3)9-10-17(18)20(14)22/h4-10,13-14,19H,11-12H2,1-3H3.
What are the key properties of 5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one?
5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3-[methyl(2-phenylethyl)amino]-2,3-dihydroinden-1-one is sourced from PubChem (CID 54098619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).