1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one

C12H15Cl2NO2 — CID 116591432

IUPAC1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-17-5-4-15-8-10(16)6-9-2-3-11(13)12(14)7-9/h2-3,7,15H,4-6,8H2,1H3
InChIKeyAUTMWXUVAXLEDI-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.34
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one

1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one (PubChem CID 116591432) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
PubChem CID116591432
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-17-5-4-15-8-10(16)6-9-2-3-11(13)12(14)7-9/h2-3,7,15H,4-6,8H2,1H3
InChIKeyAUTMWXUVAXLEDI-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.34
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-(3,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62619888
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one
CID 116591504
1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 107311411
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116591542
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114863460
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
1-(4-chloro-3-methylphenyl)-4-methoxybutan-2-one
CID 165486232
1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 105396519

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one (CID 116591432) is 1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one is COCCNCC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The InChIKey is AUTMWXUVAXLEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-17-5-4-15-8-10(16)6-9-2-3-11(13)12(14)7-9/h2-3,7,15H,4-6,8H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one?
1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one has a molecular weight of 276.16 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one is sourced from PubChem (CID 116591432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).