3-(ethylamino)-1-(3-methylphenyl)butan-1-one

C13H19NO — CID 116566722

IUPAC3-(ethylamino)-1-(3-methylphenyl)butan-1-one
SMILESCCNC(C)CC(=O)c1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-4-14-11(3)9-13(15)12-7-5-6-10(2)8-12/h5-8,11,14H,4,9H2,1-3H3
InChIKeyYGTKUEHGAPCSCA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.57
Rot. Bonds5

About 3-(ethylamino)-1-(3-methylphenyl)butan-1-one

3-(ethylamino)-1-(3-methylphenyl)butan-1-one (PubChem CID 116566722) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(ethylamino)-1-(3-methylphenyl)butan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(3-methylphenyl)butan-1-one
PubChem CID116566722
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(ethylamino)-1-(3-methylphenyl)butan-1-one
SMILESCCNC(C)CC(=O)c1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-4-14-11(3)9-13(15)12-7-5-6-10(2)8-12/h5-8,11,14H,4,9H2,1-3H3
InChIKeyYGTKUEHGAPCSCA-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116566748
1-(3-methylphenyl)butan-1-one
CID 4304992
2-butan-2-ylsulfinyl-1-(3-methylphenyl)ethanone
CID 64639266
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
methyl 2-(4-bromophenyl)-4-(3-methylphenyl)-4-oxobutanoate
CID 3675113
3-(methylamino)-1-(3-methylphenyl)propan-1-one
CID 83695895
3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one
CID 100941920
2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone
CID 55005484
5-ethoxy-1-(3-methylphenyl)pentane-1,3-dione
CID 61308565
3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 116566877
N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide
CID 114232961

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(3-methylphenyl)butan-1-one?
The IUPAC name of 3-(ethylamino)-1-(3-methylphenyl)butan-1-one (CID 116566722) is 3-(ethylamino)-1-(3-methylphenyl)butan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(3-methylphenyl)butan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(3-methylphenyl)butan-1-one is CCNC(C)CC(=O)c1cccc(C)c1.
What is the InChIKey of 3-(ethylamino)-1-(3-methylphenyl)butan-1-one?
The InChIKey is YGTKUEHGAPCSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-14-11(3)9-13(15)12-7-5-6-10(2)8-12/h5-8,11,14H,4,9H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(3-methylphenyl)butan-1-one?
3-(ethylamino)-1-(3-methylphenyl)butan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(3-methylphenyl)butan-1-one is sourced from PubChem (CID 116566722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).