2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone

C19H23NO2 — CID 82051101

IUPAC2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone
SMILESCCN(CC)CC(=O)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C19H23NO2/c1-4-20(5-2)14-19(21)18-12-11-17(13-15(18)3)22-16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3
InChIKeyFRUKJWQBDHRUEX-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.31
Rot. Bonds7

About 2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone

2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone (PubChem CID 82051101) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone
PubChem CID82051101
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone
SMILESCCN(CC)CC(=O)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C19H23NO2/c1-4-20(5-2)14-19(21)18-12-11-17(13-15(18)3)22-16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3
InChIKeyFRUKJWQBDHRUEX-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051086
4-(2-methyl-4-phenoxyphenyl)-4-oxobutanoic acid
CID 82051081
1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
CID 2462834
(E)-4-(2-methyl-4-phenoxyphenyl)hex-3-enoic acid
CID 83958558
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone
CID 90208962
1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
3,5-dichloroaniline;2-methyl-4-phenoxybenzamide
CID 174930679
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone (CID 82051101) is 2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone is CCN(CC)CC(=O)c1ccc(Oc2ccccc2)cc1C.
What is the InChIKey of 2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone?
The InChIKey is FRUKJWQBDHRUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-20(5-2)14-19(21)18-12-11-17(13-15(18)3)22-16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone?
2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone has a molecular weight of 297.40 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone is sourced from PubChem (CID 82051101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).