1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one

C13H19NO3 — CID 116591504

IUPAC1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one
SMILESCOCCNCC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C13H19NO3/c1-16-7-6-14-10-12(15)8-11-4-3-5-13(9-11)17-2/h3-5,9,14H,6-8,10H2,1-2H3
InChIKeyIUSQATACVQHQJL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.04
Rot. Bonds8

About 1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one

1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one (PubChem CID 116591504) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one
PubChem CID116591504
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one
SMILESCOCCNCC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C13H19NO3/c1-16-7-6-14-10-12(15)8-11-4-3-5-13(9-11)17-2/h3-5,9,14H,6-8,10H2,1-2H3
InChIKeyIUSQATACVQHQJL-UHFFFAOYSA-N
XLogP1.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one
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CID 116591634
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CID 120717566
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
CID 106677432
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(2-aminoethoxy)-3-(3-methoxyphenyl)propan-2-one
CID 116590894
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CID 109052520

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one (CID 116591504) is 1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one is COCCNCC(=O)Cc1cccc(OC)c1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is IUSQATACVQHQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-7-6-14-10-12(15)8-11-4-3-5-13(9-11)17-2/h3-5,9,14H,6-8,10H2,1-2H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one?
1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one has a molecular weight of 237.30 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 116591504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).