1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone

C12H17NO4 — CID 10823895

IUPAC1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
SMILESCOCCOc1cc(N)c(C(C)=O)cc1OC
InChIInChI=1S/C12H17NO4/c1-8(14)9-6-11(16-3)12(7-10(9)13)17-5-4-15-2/h6-7H,4-5,13H2,1-3H3
InChIKeyIMNVDBCWIQBOOO-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.51
Rot. Bonds6

About 1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone

1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone (PubChem CID 10823895) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
PubChem CID10823895
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
SMILESCOCCOc1cc(N)c(C(C)=O)cc1OC
InChIInChI=1S/C12H17NO4/c1-8(14)9-6-11(16-3)12(7-10(9)13)17-5-4-15-2/h6-7H,4-5,13H2,1-3H3
InChIKeyIMNVDBCWIQBOOO-UHFFFAOYSA-N
XLogP1.51
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethanone
CID 10539898
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
2-amino-4-methoxy-5-pentoxybenzoic acid
CID 43380063
2-amino-5-[3-(dimethylamino)-3-oxopropoxy]-4-methoxybenzoic acid
CID 60961608
2-amino-4-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61484296
ethyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate
CID 23033019
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
2-amino-5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid
CID 130345860

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone (CID 10823895) is 1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone is COCCOc1cc(N)c(C(C)=O)cc1OC.
What is the InChIKey of 1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone?
The InChIKey is IMNVDBCWIQBOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(14)9-6-11(16-3)12(7-10(9)13)17-5-4-15-2/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone?
1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone has a molecular weight of 239.27 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone is sourced from PubChem (CID 10823895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).