2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one

C19H23NO2 — CID 46307484

IUPAC2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one
SMILESCCCC(Oc1cccc(N)c1)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C19H23NO2/c1-3-6-18(22-17-8-5-7-16(20)13-17)19(21)15-11-9-14(4-2)10-12-15/h5,7-13,18H,3-4,6,20H2,1-2H3
InChIKeyVCAAAXGWPUDKCH-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.26
Rot. Bonds7

About 2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one

2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one (PubChem CID 46307484) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one
PubChem CID46307484
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one
SMILESCCCC(Oc1cccc(N)c1)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C19H23NO2/c1-3-6-18(22-17-8-5-7-16(20)13-17)19(21)15-11-9-14(4-2)10-12-15/h5,7-13,18H,3-4,6,20H2,1-2H3
InChIKeyVCAAAXGWPUDKCH-UHFFFAOYSA-N
XLogP4.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.26
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

ethyl 2-(3-ethylphenoxy)pentanoate
CID 83038247
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
CID 46307731
1-(3-aminophenoxy)butan-1-ol
CID 173226029
(2S)-2-(3-aminophenoxy)butanoic acid
CID 40788014
2-(3-aminophenoxy)butanamide
CID 62901524
methyl 2-(3-aminophenoxy)butanoate
CID 18433398
2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307478
2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
CID 46307454
2-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
CID 46307329
2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one
CID 46307352
2-phenoxypentaneperoxoic acid
CID 18459699
2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one
CID 46307783

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one?
The IUPAC name of 2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one (CID 46307484) is 2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one?
The canonical SMILES for 2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one is CCCC(Oc1cccc(N)c1)C(=O)c1ccc(CC)cc1.
What is the InChIKey of 2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one?
The InChIKey is VCAAAXGWPUDKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-6-18(22-17-8-5-7-16(20)13-17)19(21)15-11-9-14(4-2)10-12-15/h5,7-13,18H,3-4,6,20H2,1-2H3.
What are the key properties of 2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one?
2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one has a molecular weight of 297.40 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one is sourced from PubChem (CID 46307484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).