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

C13H19NO — CID 116565761

IUPAC1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)c1cccc(C)c1C
InChIInChI=1S/C13H19NO/c1-4-14-9-8-13(15)12-7-5-6-10(2)11(12)3/h5-7,14H,4,8-9H2,1-3H3
InChIKeyIGKOMQMLQVXTPI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.49
Rot. Bonds5

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

1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one (PubChem CID 116565761) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one
PubChem CID116565761
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)c1cccc(C)c1C
InChIInChI=1S/C13H19NO/c1-4-14-9-8-13(15)12-7-5-6-10(2)11(12)3/h5-7,14H,4,8-9H2,1-3H3
InChIKeyIGKOMQMLQVXTPI-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
1-(2,3-dimethylphenyl)-3-hydroxybutan-1-one
CID 162516243
1-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589428
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927472
3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one
CID 114970182
2,3-dimethylbenzohydrazide
CID 16790549
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
CID 62548173
1-(2,3-dimethylphenyl)oct-7-en-1-one
CID 107011226
1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973203
3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
CID 62835659

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one (CID 116565761) is 1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one is CCNCCC(=O)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one?
The InChIKey is IGKOMQMLQVXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-14-9-8-13(15)12-7-5-6-10(2)11(12)3/h5-7,14H,4,8-9H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one?
1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one is sourced from PubChem (CID 116565761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).