1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one

C13H19NO2 — CID 172859147

IUPAC1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OC)c(NCC)c1
InChIInChI=1S/C13H19NO2/c1-4-6-12(15)10-7-8-13(16-3)11(9-10)14-5-2/h7-9,14H,4-6H2,1-3H3
InChIKeyZCTOJBLFXITKNU-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.11
Rot. Bonds6

About 1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one

1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one (PubChem CID 172859147) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one.

Molecular Properties

Compound Name1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one
PubChem CID172859147
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OC)c(NCC)c1
InChIInChI=1S/C13H19NO2/c1-4-6-12(15)10-7-8-13(16-3)11(9-10)14-5-2/h7-9,14H,4-6H2,1-3H3
InChIKeyZCTOJBLFXITKNU-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone
CID 172702212
N-[5-[2-(ethylamino)acetyl]-2-methoxyphenyl]acetamide
CID 98784358
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
1-(3-bromo-4-methoxyphenyl)pentan-1-one
CID 43161744
ethyl 4-(4-butanoyl-2-methoxyphenoxy)butanoate
CID 68799318
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one
CID 103035398
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one?
The IUPAC name of 1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one (CID 172859147) is 1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one.
What is the SMILES notation for 1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one?
The canonical SMILES for 1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one is CCCC(=O)c1ccc(OC)c(NCC)c1.
What is the InChIKey of 1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one?
The InChIKey is ZCTOJBLFXITKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-6-12(15)10-7-8-13(16-3)11(9-10)14-5-2/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one?
1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one has a molecular weight of 221.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one is sourced from PubChem (CID 172859147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).