4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one

C13H19NO2 — CID 116565758

IUPAC4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one
SMILESCCNCCC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-3-14-8-7-12(15)9-11-5-4-6-13(10-11)16-2/h4-6,10,14H,3,7-9H2,1-2H3
InChIKeyQXBPJDZGLJEHID-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.81
Rot. Bonds7

About 4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one

4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one (PubChem CID 116565758) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one
PubChem CID116565758
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one
SMILESCCNCCC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-3-14-8-7-12(15)9-11-5-4-6-13(10-11)16-2/h4-6,10,14H,3,7-9H2,1-2H3
InChIKeyQXBPJDZGLJEHID-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-4-(ethylamino)butan-2-one
CID 116565791
1-(3-methoxyphenyl)heptan-2-one
CID 61056670
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
CID 106677432
1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one
CID 116591504
5-ethoxy-1-(3-methoxyphenyl)pentan-2-one
CID 105088612
4-[(3-methoxyphenyl)methylamino]butan-2-one
CID 115235732
1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one
CID 105088613
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
1-(3-methoxyphenyl)hex-4-yn-2-one
CID 62311381
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one?
The IUPAC name of 4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one (CID 116565758) is 4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one.
What is the SMILES notation for 4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one?
The canonical SMILES for 4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one is CCNCCC(=O)Cc1cccc(OC)c1.
What is the InChIKey of 4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one?
The InChIKey is QXBPJDZGLJEHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14-8-7-12(15)9-11-5-4-6-13(10-11)16-2/h4-6,10,14H,3,7-9H2,1-2H3.
What are the key properties of 4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one?
4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one is sourced from PubChem (CID 116565758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).