1-(N-ethyl-3-methylanilino)pentan-2-one

C14H21NO — CID 62044649

IUPAC1-(N-ethyl-3-methylanilino)pentan-2-one
SMILESCCCC(=O)CN(CC)c1cccc(C)c1
InChIInChI=1S/C14H21NO/c1-4-7-14(16)11-15(5-2)13-9-6-8-12(3)10-13/h6,8-10H,4-5,7,11H2,1-3H3
InChIKeyAFWCEPJZDQLBLO-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.19
Rot. Bonds6

About 1-(N-ethyl-3-methylanilino)pentan-2-one

1-(N-ethyl-3-methylanilino)pentan-2-one (PubChem CID 62044649) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(N-ethyl-3-methylanilino)pentan-2-one.

Molecular Properties

Compound Name1-(N-ethyl-3-methylanilino)pentan-2-one
PubChem CID62044649
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(N-ethyl-3-methylanilino)pentan-2-one
SMILESCCCC(=O)CN(CC)c1cccc(C)c1
InChIInChI=1S/C14H21NO/c1-4-7-14(16)11-15(5-2)13-9-6-8-12(3)10-13/h6,8-10H,4-5,7,11H2,1-3H3
InChIKeyAFWCEPJZDQLBLO-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
CID 107507164
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
CID 109006691
2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
CID 61102989
2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone
CID 63566987
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
N-(2,6-difluorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109011313
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-(N-ethyl-3-methylanilino)ethanimidamide
CID 61075863
1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
CID 62042480
potassium 3-(N-ethyl-3-methylanilino)prop-1-en-2-yl-trifluoroboranuide
CID 106745772

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-3-methylanilino)pentan-2-one?
The IUPAC name of 1-(N-ethyl-3-methylanilino)pentan-2-one (CID 62044649) is 1-(N-ethyl-3-methylanilino)pentan-2-one.
What is the SMILES notation for 1-(N-ethyl-3-methylanilino)pentan-2-one?
The canonical SMILES for 1-(N-ethyl-3-methylanilino)pentan-2-one is CCCC(=O)CN(CC)c1cccc(C)c1.
What is the InChIKey of 1-(N-ethyl-3-methylanilino)pentan-2-one?
The InChIKey is AFWCEPJZDQLBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-14(16)11-15(5-2)13-9-6-8-12(3)10-13/h6,8-10H,4-5,7,11H2,1-3H3.
What are the key properties of 1-(N-ethyl-3-methylanilino)pentan-2-one?
1-(N-ethyl-3-methylanilino)pentan-2-one has a molecular weight of 219.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-3-methylanilino)pentan-2-one is sourced from PubChem (CID 62044649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).