1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone

C16H17NO4 — CID 104529311

IUPAC1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
SMILESCOc1cc(OC)cc(Oc2ccc(C(C)=O)c(N)c2)c1
InChIInChI=1S/C16H17NO4/c1-10(18)15-5-4-11(9-16(15)17)21-14-7-12(19-2)6-13(8-14)20-3/h4-9H,17H2,1-3H3
InChIKeyAWYOPIKEKHPDFU-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone

1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone (PubChem CID 104529311) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
PubChem CID104529311
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
SMILESCOc1cc(OC)cc(Oc2ccc(C(C)=O)c(N)c2)c1
InChIInChI=1S/C16H17NO4/c1-10(18)15-5-4-11(9-16(15)17)21-14-7-12(19-2)6-13(8-14)20-3/h4-9H,17H2,1-3H3
InChIKeyAWYOPIKEKHPDFU-UHFFFAOYSA-N
XLogP3.28
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone
CID 104529391
1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
CID 107168510
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
CID 142513728
1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone
CID 107386877
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 104529281
1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
CID 107711840
1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 104529321

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone (CID 104529311) is 1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone is COc1cc(OC)cc(Oc2ccc(C(C)=O)c(N)c2)c1.
What is the InChIKey of 1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone?
The InChIKey is AWYOPIKEKHPDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10(18)15-5-4-11(9-16(15)17)21-14-7-12(19-2)6-13(8-14)20-3/h4-9H,17H2,1-3H3.
What are the key properties of 1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone?
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone has a molecular weight of 287.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone is sourced from PubChem (CID 104529311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).