2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one

C17H19NO4 — CID 46307670

IUPAC2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(OC)c(C(=O)C(C)Oc2ccc(N)cc2)c1
InChIInChI=1S/C17H19NO4/c1-11(22-13-6-4-12(18)5-7-13)17(19)15-10-14(20-2)8-9-16(15)21-3/h4-11H,18H2,1-3H3
InChIKeyOQAWJSAROPAKFI-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.94
Rot. Bonds6

About 2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one

2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one (PubChem CID 46307670) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one
PubChem CID46307670
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(OC)c(C(=O)C(C)Oc2ccc(N)cc2)c1
InChIInChI=1S/C17H19NO4/c1-11(22-13-6-4-12(18)5-7-13)17(19)15-10-14(20-2)8-9-16(15)21-3/h4-11H,18H2,1-3H3
InChIKeyOQAWJSAROPAKFI-UHFFFAOYSA-N
XLogP2.94
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307671
2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 46307714
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924
(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
CID 82265572
1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
CID 79492414
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
CID 82626892
2-(2-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307371
methyl 2-chloro-3-(2,5-dimethoxyphenyl)-3-oxopropanoate
CID 112513730
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one
CID 82101101
2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one
CID 46307736
1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667
6-amino-1-(2,5-dimethoxyphenyl)-2-methylheptan-1-one
CID 116574273

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one?
The IUPAC name of 2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one (CID 46307670) is 2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one is COc1ccc(OC)c(C(=O)C(C)Oc2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one?
The InChIKey is OQAWJSAROPAKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11(22-13-6-4-12(18)5-7-13)17(19)15-10-14(20-2)8-9-16(15)21-3/h4-11H,18H2,1-3H3.
What are the key properties of 2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one?
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one has a molecular weight of 301.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 46307670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).