2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one

C23H23NO2 — CID 46307352

IUPAC2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one
SMILESCCCC(Oc1ccccc1N)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-2-8-22(26-21-12-7-6-11-20(21)24)23(25)19-15-13-18(14-16-19)17-9-4-3-5-10-17/h3-7,9-16,22H,2,8,24H2,1H3
InChIKeyRVJOQHFMZPDCOW-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.37
Rot. Bonds7

About 2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one

2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one (PubChem CID 46307352) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one
PubChem CID46307352
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one
SMILESCCCC(Oc1ccccc1N)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-2-8-22(26-21-12-7-6-11-20(21)24)23(25)19-15-13-18(14-16-19)17-9-4-3-5-10-17/h3-7,9-16,22H,2,8,24H2,1H3
InChIKeyRVJOQHFMZPDCOW-UHFFFAOYSA-N
XLogP5.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.37
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-(4-methylphenyl)pentan-1-one
CID 46307329
2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
CID 46307454
2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one
CID 46307345
2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one
CID 46307428
2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 46307864
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 46307411
2-(2-bromo-4-phenylphenoxy)pentanoic acid
CID 54792667
2-phenoxypentaneperoxoic acid
CID 18459699
ethyl 3-oxo-2-(4-phenylbenzoyl)butanoate
CID 2756667
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one
CID 46307484
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
CID 46307731

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one?
The IUPAC name of 2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one (CID 46307352) is 2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one?
The canonical SMILES for 2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one is CCCC(Oc1ccccc1N)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one?
The InChIKey is RVJOQHFMZPDCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-8-22(26-21-12-7-6-11-20(21)24)23(25)19-15-13-18(14-16-19)17-9-4-3-5-10-17/h3-7,9-16,22H,2,8,24H2,1H3.
What are the key properties of 2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one?
2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one has a molecular weight of 345.44 g/mol, XLogP of 5.37, 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-(4-phenylphenyl)pentan-1-one is sourced from PubChem (CID 46307352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).