1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone

C20H23NO — CID 170787575

IUPAC1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone
SMILESCC(=O)C1=C2C=CCC=C2C(C)(C)c2cc(N(C)C)ccc21
InChIInChI=1S/C20H23NO/c1-13(22)19-15-8-6-7-9-17(15)20(2,3)18-12-14(21(4)5)10-11-16(18)19/h6,8-12H,7H2,1-5H3
InChIKeyYGJSRNJMCOTZST-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.27
Rot. Bonds2

About 1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone

1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone (PubChem CID 170787575) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone.

Molecular Properties

Compound Name1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone
PubChem CID170787575
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone
SMILESCC(=O)C1=C2C=CCC=C2C(C)(C)c2cc(N(C)C)ccc21
InChIInChI=1S/C20H23NO/c1-13(22)19-15-8-6-7-9-17(15)20(2,3)18-12-14(21(4)5)10-11-16(18)19/h6,8-12H,7H2,1-5H3
InChIKeyYGJSRNJMCOTZST-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
CID 171781093
[7-(dimethylamino)-10-(1-hydroxyethyl)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;ethane
CID 170787544
[7-(dimethylamino)-10-di(propan-2-yloxy)phosphoryl-9,9-dimethylanthracen-2-ylidene]-dimethylazanium
CID 140893315
N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine
CID 22088221
5-carbamoyl-2-[6-(dimethylamino)-3H-xanthen-9-yl]benzoic acid;dimethylazanium
CID 171100374
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
2-(1-aminocyclopropyl)-4-(dimethylamino)phenol
CID 117283257
[7-(dimethylamino)-10-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylpiperidine-1-carbonyl]phenyl]-9,9-dimethylanthracen-2-ylidene]-dimethylazanium
CID 123350482
2-[3,6-bis(dimethylamino)-10,10-dimethyl-9H-anthracen-9-yl]benzoic acid
CID 164851886
1-[5-(dimethylamino)-2-methylphenyl]ethanone
CID 54505937
9-(dimethylamino)-1-ethyl-11,11-dimethyl-3,4-dihydro-2H-naphtho[2,3-g]quinolin-6-one
CID 56959148
2-[1-[5-(dimethylamino)-2-hydroxyphenyl]cyclopropyl]acetic acid
CID 117342168

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone?
The IUPAC name of 1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone (CID 170787575) is 1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone.
What is the SMILES notation for 1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone?
The canonical SMILES for 1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone is CC(=O)C1=C2C=CCC=C2C(C)(C)c2cc(N(C)C)ccc21.
What is the InChIKey of 1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone?
The InChIKey is YGJSRNJMCOTZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-13(22)19-15-8-6-7-9-17(15)20(2,3)18-12-14(21(4)5)10-11-16(18)19/h6,8-12H,7H2,1-5H3.
What are the key properties of 1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone?
1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone has a molecular weight of 293.41 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone is sourced from PubChem (CID 170787575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).