2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one

C20H25NO2 — CID 46307367

IUPAC2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one
SMILESCCc1ccc(CC)c(C(=O)C(CC)Oc2ccccc2N)c1
InChIInChI=1S/C20H25NO2/c1-4-14-11-12-15(5-2)16(13-14)20(22)18(6-3)23-19-10-8-7-9-17(19)21/h7-13,18H,4-6,21H2,1-3H3
InChIKeyDAPJAHBDSYOYGR-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.43
Rot. Bonds7

About 2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one

2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one (PubChem CID 46307367) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one
PubChem CID46307367
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one
SMILESCCc1ccc(CC)c(C(=O)C(CC)Oc2ccccc2N)c1
InChIInChI=1S/C20H25NO2/c1-4-14-11-12-15(5-2)16(13-14)20(22)18(6-3)23-19-10-8-7-9-17(19)21/h7-13,18H,4-6,21H2,1-3H3
InChIKeyDAPJAHBDSYOYGR-UHFFFAOYSA-N
XLogP4.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.43
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-(2,4-dimethylphenyl)butan-1-one
CID 46307359
2-(2-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307371
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-bromo-1-(2,5-diethylphenyl)butan-1-one
CID 63385919
cyclohexyl 2-(2-aminophenoxy)butanoate
CID 82027657
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529
2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one
CID 46307428
(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone
CID 65456262
propyl 2,5-diethylbenzoate
CID 22448167
1-(2,5-diethylphenyl)-2-methylsulfonylpropan-1-one
CID 104518163
2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 46307920

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one?
The IUPAC name of 2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one (CID 46307367) is 2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one?
The canonical SMILES for 2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one is CCc1ccc(CC)c(C(=O)C(CC)Oc2ccccc2N)c1.
What is the InChIKey of 2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one?
The InChIKey is DAPJAHBDSYOYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-14-11-12-15(5-2)16(13-14)20(22)18(6-3)23-19-10-8-7-9-17(19)21/h7-13,18H,4-6,21H2,1-3H3.
What are the key properties of 2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one?
2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one has a molecular weight of 311.43 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-(2,5-diethylphenyl)butan-1-one is sourced from PubChem (CID 46307367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).