2-(ethylamino)-1-(4-methylphenyl)butan-1-one

C13H19NO — CID 91698934

IUPAC2-(ethylamino)-1-(4-methylphenyl)butan-1-one
SMILESCCNC(CC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-4-12(14-5-2)13(15)11-8-6-10(3)7-9-11/h6-9,12,14H,4-5H2,1-3H3
InChIKeyZTIPDEPKTDPNQE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.57
Rot. Bonds5

About 2-(ethylamino)-1-(4-methylphenyl)butan-1-one

2-(ethylamino)-1-(4-methylphenyl)butan-1-one (PubChem CID 91698934) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-methylphenyl)butan-1-one
PubChem CID91698934
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(ethylamino)-1-(4-methylphenyl)butan-1-one
SMILESCCNC(CC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-4-12(14-5-2)13(15)11-8-6-10(3)7-9-11/h6-9,12,14H,4-5H2,1-3H3
InChIKeyZTIPDEPKTDPNQE-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

2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149371
2-(ethylamino)-1-(4-methylphenyl)hexan-1-one
CID 165361446
1-(4-chlorophenyl)-2-(ethylamino)butan-1-one;hydrochloride
CID 169436410
2-[[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]butanoic acid
CID 82100133
3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid
CID 82348090
3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one
CID 103458462
1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
CID 166892629
2-butan-2-ylsulfinyl-1-(4-methylphenyl)propan-1-one
CID 64641066
1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765617
(2S)-2-(dimethylamino)-1-(4-methylphenyl)butan-1-one
CID 124518637
ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate
CID 82322076
methyl 4-(4-methylphenyl)-4-oxo-3-(propylamino)butanoate
CID 82347471

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-methylphenyl)butan-1-one?
The IUPAC name of 2-(ethylamino)-1-(4-methylphenyl)butan-1-one (CID 91698934) is 2-(ethylamino)-1-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(4-methylphenyl)butan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(4-methylphenyl)butan-1-one is CCNC(CC)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(ethylamino)-1-(4-methylphenyl)butan-1-one?
The InChIKey is ZTIPDEPKTDPNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-12(14-5-2)13(15)11-8-6-10(3)7-9-11/h6-9,12,14H,4-5H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-(4-methylphenyl)butan-1-one?
2-(ethylamino)-1-(4-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 2-(ethylamino)-1-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 91698934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).