3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one

C15H21NO2 — CID 90058025

IUPAC3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one
SMILESC=CCOc1cccc(C(=O)C(C)CN(C)C)c1
InChIInChI=1S/C15H21NO2/c1-5-9-18-14-8-6-7-13(10-14)15(17)12(2)11-16(3)4/h5-8,10,12H,1,9,11H2,2-4H3
InChIKeyMOCIQCCBCFFCRZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.63
Rot. Bonds7

About 3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one

3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one (PubChem CID 90058025) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one
PubChem CID90058025
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one
SMILESC=CCOc1cccc(C(=O)C(C)CN(C)C)c1
InChIInChI=1S/C15H21NO2/c1-5-9-18-14-8-6-7-13(10-14)15(17)12(2)11-16(3)4/h5-8,10,12H,1,9,11H2,2-4H3
InChIKeyMOCIQCCBCFFCRZ-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(3-aminophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 53235046
N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride
CID 2972123
(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993266
2-(3-prop-2-enoxyphenyl)propanoic acid
CID 156638364
2-methyl-1-(3-propoxyphenyl)butan-1-one
CID 115788060
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
(2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride
CID 68978286
3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine
CID 18974556
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510
2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid
CID 22346232
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
CID 54826343

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one (CID 90058025) is 3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one is C=CCOc1cccc(C(=O)C(C)CN(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one?
The InChIKey is MOCIQCCBCFFCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-9-18-14-8-6-7-13(10-14)15(17)12(2)11-16(3)4/h5-8,10,12H,1,9,11H2,2-4H3.
What are the key properties of 3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one?
3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one is sourced from PubChem (CID 90058025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).