1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone

C11H14ClNO2 — CID 82535653

IUPAC1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
SMILESCOCCNc1cc(C(C)=O)ccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-8(14)9-3-4-10(12)11(7-9)13-5-6-15-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyFRINNGWHXVHFED-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone

1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone (PubChem CID 82535653) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
PubChem CID82535653
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
SMILESCOCCNc1cc(C(C)=O)ccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-8(14)9-3-4-10(12)11(7-9)13-5-6-15-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyFRINNGWHXVHFED-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.60
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-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
CID 82535645
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide
CID 71969037
4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide
CID 110006657
methyl 4-chloro-3-[[3-(3-methoxypropylamino)-3-oxopropyl]amino]benzoate
CID 109015451
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306
1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone
CID 82535651
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
4-chloro-3-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814349
2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
CID 104726849
1-[4-chloro-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 59637041
N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109041021

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone?
The IUPAC name of 1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone (CID 82535653) is 1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone is COCCNc1cc(C(C)=O)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone?
The InChIKey is FRINNGWHXVHFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(14)9-3-4-10(12)11(7-9)13-5-6-15-2/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone?
1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone has a molecular weight of 227.69 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone is sourced from PubChem (CID 82535653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).