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

C12H15Cl2NO2 — CID 107311411

IUPAC1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-17-6-5-15-8-10(16)7-9-3-2-4-11(13)12(9)14/h2-4,15H,5-8H2,1H3
InChIKeyUUNMTBQUNRMSOY-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.34
Rot. Bonds7

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

1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one (PubChem CID 107311411) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
PubChem CID107311411
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-17-6-5-15-8-10(16)7-9-3-2-4-11(13)12(9)14/h2-4,15H,5-8H2,1H3
InChIKeyUUNMTBQUNRMSOY-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

2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62800794
1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591432
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114863460
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one
CID 107311300
1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one
CID 116591504
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
1-(2-methoxyethylamino)-3-pyridin-2-ylpropan-2-one
CID 116591647
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119723037
2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 107309735

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one (CID 107311411) is 1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one is COCCNCC(=O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The InChIKey is UUNMTBQUNRMSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-17-6-5-15-8-10(16)7-9-3-2-4-11(13)12(9)14/h2-4,15H,5-8H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one?
1-(2,3-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-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one is sourced from PubChem (CID 107311411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).