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

C13H19NO2 — CID 107507164

IUPAC1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
SMILESCCN(CC(=O)COC)c1cccc(C)c1
InChIInChI=1S/C13H19NO2/c1-4-14(9-13(15)10-16-3)12-7-5-6-11(2)8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyCCFJAHUZUQMLHL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.04
Rot. Bonds6

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

1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one (PubChem CID 107507164) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
PubChem CID107507164
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
SMILESCCN(CC(=O)COC)c1cccc(C)c1
InChIInChI=1S/C13H19NO2/c1-4-14(9-13(15)10-16-3)12-7-5-6-11(2)8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyCCFJAHUZUQMLHL-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(N-ethyl-3-methylanilino)pentan-2-one
CID 62044649
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
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1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
CID 61102989
N-(2,6-difluorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109011313
2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone
CID 63566987
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
2-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998497
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
potassium 3-(N-ethyl-3-methylanilino)prop-1-en-2-yl-trifluoroboranuide
CID 106745772
2-(N-ethyl-3-methylanilino)ethanimidamide
CID 61075863
N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109008467

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one?
The IUPAC name of 1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one (CID 107507164) is 1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one?
The canonical SMILES for 1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one is CCN(CC(=O)COC)c1cccc(C)c1.
What is the InChIKey of 1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one?
The InChIKey is CCFJAHUZUQMLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-14(9-13(15)10-16-3)12-7-5-6-11(2)8-12/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one?
1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one is sourced from PubChem (CID 107507164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).