1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone

C11H14ClNO2 — CID 82535651

IUPAC1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone
SMILESCOCCNc1cc(Cl)cc(C(C)=O)c1
InChIInChI=1S/C11H14ClNO2/c1-8(14)9-5-10(12)7-11(6-9)13-3-4-15-2/h5-7,13H,3-4H2,1-2H3
InChIKeySLCPBGIPTKQRNS-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.60
Rot. Bonds5

About 1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone

1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone (PubChem CID 82535651) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone
PubChem CID82535651
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone
SMILESCOCCNc1cc(Cl)cc(C(C)=O)c1
InChIInChI=1S/C11H14ClNO2/c1-8(14)9-5-10(12)7-11(6-9)13-3-4-15-2/h5-7,13H,3-4H2,1-2H3
InChIKeySLCPBGIPTKQRNS-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-[3-chloro-5-(ethylamino)phenyl]ethanone
CID 82535671
1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
CID 82535653
methyl 3-acetyl-5-chlorobenzoate
CID 69166843
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
N-(3,5-dichlorophenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959609
N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
CID 109041022
1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
CID 139706215
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225
1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
CID 82095847
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone
CID 110453014

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone (CID 82535651) is 1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone is COCCNc1cc(Cl)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone?
The InChIKey is SLCPBGIPTKQRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(14)9-5-10(12)7-11(6-9)13-3-4-15-2/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone?
1-[3-chloro-5-(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-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone is sourced from PubChem (CID 82535651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).