2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one

C17H19NO3 — CID 46307714

IUPAC2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Oc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C17H19NO3/c1-11-10-15(20-3)8-9-16(11)17(19)12(2)21-14-6-4-13(18)5-7-14/h4-10,12H,18H2,1-3H3
InChIKeyADWMRTKPQHVORU-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one

2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one (PubChem CID 46307714) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
PubChem CID46307714
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Oc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C17H19NO3/c1-11-10-15(20-3)8-9-16(11)17(19)12(2)21-14-6-4-13(18)5-7-14/h4-10,12H,18H2,1-3H3
InChIKeyADWMRTKPQHVORU-UHFFFAOYSA-N
XLogP3.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)propan-1-one
CID 46307670
2-(4-aminophenoxy)-1-(2,4-dibromophenyl)propan-1-one
CID 46307736
2-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one
CID 46307509
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
2-amino-1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-one
CID 116552805
2-(aminomethyl)-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116573984
2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116553575
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586918
(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone
CID 104891125
1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43232352
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one?
The IUPAC name of 2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one (CID 46307714) is 2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one?
The canonical SMILES for 2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one is COc1ccc(C(=O)C(C)Oc2ccc(N)cc2)c(C)c1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one?
The InChIKey is ADWMRTKPQHVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-10-15(20-3)8-9-16(11)17(19)12(2)21-14-6-4-13(18)5-7-14/h4-10,12H,18H2,1-3H3.
What are the key properties of 2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one?
2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one has a molecular weight of 285.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one is sourced from PubChem (CID 46307714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).