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

C18H21NO3 — CID 46307454

IUPAC2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
SMILESCCCC(Oc1ccccc1N)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO3/c1-3-6-17(22-16-8-5-4-7-15(16)19)18(20)13-9-11-14(21-2)12-10-13/h4-5,7-12,17H,3,6,19H2,1-2H3
InChIKeyZJSQDCSYHBEDAM-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.71
Rot. Bonds7

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

2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one (PubChem CID 46307454) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
PubChem CID46307454
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
SMILESCCCC(Oc1ccccc1N)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO3/c1-3-6-17(22-16-8-5-4-7-15(16)19)18(20)13-9-11-14(21-2)12-10-13/h4-5,7-12,17H,3,6,19H2,1-2H3
InChIKeyZJSQDCSYHBEDAM-UHFFFAOYSA-N
XLogP3.71
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenylphenyl)pentan-1-one
CID 46307352
2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one
CID 46307345
2-(2-amino-4-methoxyphenoxy)pentanoic acid
CID 83037048
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-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307371
2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one
CID 46307428
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
CID 46307731
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
CID 116574552
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
2-(2-amino-4-methylphenoxy)-1-naphthalen-2-ylbutan-1-one
CID 46307916

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one?
The IUPAC name of 2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one (CID 46307454) is 2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one?
The canonical SMILES for 2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one is CCCC(Oc1ccccc1N)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one?
The InChIKey is ZJSQDCSYHBEDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-6-17(22-16-8-5-4-7-15(16)19)18(20)13-9-11-14(21-2)12-10-13/h4-5,7-12,17H,3,6,19H2,1-2H3.
What are the key properties of 2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one?
2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one has a molecular weight of 299.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one is sourced from PubChem (CID 46307454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).