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

C18H21NO2 — CID 46307329

IUPAC2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
SMILESCCCC(Oc1ccccc1N)C(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO2/c1-3-6-17(21-16-8-5-4-7-15(16)19)18(20)14-11-9-13(2)10-12-14/h4-5,7-12,17H,3,6,19H2,1-2H3
InChIKeyKKPHXPOXRVMXMQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.01
Rot. Bonds6

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

2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one (PubChem CID 46307329) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
PubChem CID46307329
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
SMILESCCCC(Oc1ccccc1N)C(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO2/c1-3-6-17(21-16-8-5-4-7-15(16)19)18(20)14-11-9-13(2)10-12-14/h4-5,7-12,17H,3,6,19H2,1-2H3
InChIKeyKKPHXPOXRVMXMQ-UHFFFAOYSA-N
XLogP4.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.01
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-phenylphenyl)pentan-1-one
CID 46307352
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-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 46307864
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one
CID 46307359
ethyl 2-(2-amino-5-methylphenoxy)pentanoate
CID 83034439
2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one
CID 46307428
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-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one
CID 46307783
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 46307411
ethyl 2-(4-aminonaphthalen-1-yl)oxypentanoate
CID 83037159

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one?
The IUPAC name of 2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one (CID 46307329) is 2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one?
The canonical SMILES for 2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one is CCCC(Oc1ccccc1N)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one?
The InChIKey is KKPHXPOXRVMXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-6-17(21-16-8-5-4-7-15(16)19)18(20)14-11-9-13(2)10-12-14/h4-5,7-12,17H,3,6,19H2,1-2H3.
What are the key properties of 2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one?
2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one has a molecular weight of 283.37 g/mol, XLogP of 4.01, 6 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-methylphenyl)pentan-1-one is sourced from PubChem (CID 46307329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).