1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one

C13H19NO — CID 116562424

IUPAC1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one
SMILESCCNCC(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C13H19NO/c1-4-14-9-13(15)8-12-6-10(2)5-11(3)7-12/h5-7,14H,4,8-9H2,1-3H3
InChIKeyLZHREGIYVAMAGT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.02
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one

1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one (PubChem CID 116562424) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one
PubChem CID116562424
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one
SMILESCCNCC(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C13H19NO/c1-4-14-9-13(15)8-12-6-10(2)5-11(3)7-12/h5-7,14H,4,8-9H2,1-3H3
InChIKeyLZHREGIYVAMAGT-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
CID 116562482
N-(3,5-dimethylphenyl)-2-(ethylamino)acetamide
CID 54820628
1-(3,5-dimethylphenyl)undecan-2-one
CID 63409539
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600
1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167727
1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one
CID 65138899
1-(3,5-dimethylphenyl)-3-(thian-4-yl)propan-2-one
CID 105081386
1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558744
1-(3,5-dimethylphenyl)-3,3-dimethylbutan-2-one
CID 22558548
2-[(3,5-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687465
2-(ethylamino)-N-(3-fluoro-5-methylphenyl)acetamide
CID 79049951

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one (CID 116562424) is 1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one is CCNCC(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one?
The InChIKey is LZHREGIYVAMAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-14-9-13(15)8-12-6-10(2)5-11(3)7-12/h5-7,14H,4,8-9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one?
1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one is sourced from PubChem (CID 116562424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).