2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one

C18H21NO2 — CID 46307359

IUPAC2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one
SMILESCCC(Oc1ccccc1N)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C18H21NO2/c1-4-16(21-17-8-6-5-7-15(17)19)18(20)14-10-9-12(2)11-13(14)3/h5-11,16H,4,19H2,1-3H3
InChIKeyDSGVTFVRGUFBAP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one

2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one (PubChem CID 46307359) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one
PubChem CID46307359
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one
SMILESCCC(Oc1ccccc1N)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C18H21NO2/c1-4-16(21-17-8-6-5-7-15(17)19)18(20)14-10-9-12(2)11-13(14)3/h5-11,16H,4,19H2,1-3H3
InChIKeyDSGVTFVRGUFBAP-UHFFFAOYSA-N
XLogP3.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307371
2-(2-amino-4-methylphenoxy)-1-naphthalen-2-ylbutan-1-one
CID 46307916
2-(2-amino-4-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 46307899
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one
CID 46307367
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 46307411
2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one
CID 46307783
2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
CID 46307329
2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 46307920
2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 14211244
1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
CID 116708065
2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one
CID 46307428

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one?
The IUPAC name of 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one (CID 46307359) is 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one?
The canonical SMILES for 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one is CCC(Oc1ccccc1N)C(=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one?
The InChIKey is DSGVTFVRGUFBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-16(21-17-8-6-5-7-15(17)19)18(20)14-10-9-12(2)11-13(14)3/h5-11,16H,4,19H2,1-3H3.
What are the key properties of 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one?
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one is sourced from PubChem (CID 46307359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).