2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one

C17H19NO2 — CID 46307778

IUPAC2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2ccc(C)cc2N)cc1
InChIInChI=1S/C17H19NO2/c1-11-4-7-14(8-5-11)17(19)13(3)20-16-9-6-12(2)10-15(16)18/h4-10,13H,18H2,1-3H3
InChIKeyHBYGEVMRRVIXJY-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.54
Rot. Bonds4

About 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one

2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one (PubChem CID 46307778) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
PubChem CID46307778
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2ccc(C)cc2N)cc1
InChIInChI=1S/C17H19NO2/c1-11-4-7-14(8-5-11)17(19)13(3)20-16-9-6-12(2)10-15(16)18/h4-10,13H,18H2,1-3H3
InChIKeyHBYGEVMRRVIXJY-UHFFFAOYSA-N
XLogP3.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one
CID 46307919
1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307478
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 104708077
2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one
CID 62034536
2-(2-amino-4-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 46307899
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 61312232
1-(4-methylphenyl)-2-(2-methylsulfanylphenoxy)propan-1-one
CID 63647844
2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 43412278

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one (CID 46307778) is 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)Oc2ccc(C)cc2N)cc1.
What is the InChIKey of 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one?
The InChIKey is HBYGEVMRRVIXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-4-7-14(8-5-11)17(19)13(3)20-16-9-6-12(2)10-15(16)18/h4-10,13H,18H2,1-3H3.
What are the key properties of 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one?
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 46307778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).