1-(5-amino-2-phenoxyphenyl)propan-1-one

C15H15NO2 — CID 174383194

IUPAC1-(5-amino-2-phenoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(N)ccc1Oc1ccccc1
InChIInChI=1S/C15H15NO2/c1-2-14(17)13-10-11(16)8-9-15(13)18-12-6-4-3-5-7-12/h3-10H,2,16H2,1H3
InChIKeyCUDCCLPEKMYVSF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.65
Rot. Bonds4

About 1-(5-amino-2-phenoxyphenyl)propan-1-one

1-(5-amino-2-phenoxyphenyl)propan-1-one (PubChem CID 174383194) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(5-amino-2-phenoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-2-phenoxyphenyl)propan-1-one
PubChem CID174383194
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(5-amino-2-phenoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(N)ccc1Oc1ccccc1
InChIInChI=1S/C15H15NO2/c1-2-14(17)13-10-11(16)8-9-15(13)18-12-6-4-3-5-7-12/h3-10H,2,16H2,1H3
InChIKeyCUDCCLPEKMYVSF-UHFFFAOYSA-N
XLogP3.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.65
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

methyl 5-amino-2-phenoxybenzoate
CID 23019285
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
5-amino-2-(3-ethoxyphenoxy)benzoic acid
CID 62338276
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
ethyl 5-amino-2-(3-methylphenoxy)benzoate
CID 61305399
5-amino-2-(4-propan-2-ylphenoxy)benzoic acid
CID 60988094
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088
1-(5-amino-2-iodophenyl)propan-1-one
CID 118852727
ethyl 5-chloro-2-phenoxybenzoate
CID 11652014
4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
CID 56607371
methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
CID 22731359

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-phenoxyphenyl)propan-1-one?
The IUPAC name of 1-(5-amino-2-phenoxyphenyl)propan-1-one (CID 174383194) is 1-(5-amino-2-phenoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(5-amino-2-phenoxyphenyl)propan-1-one?
The canonical SMILES for 1-(5-amino-2-phenoxyphenyl)propan-1-one is CCC(=O)c1cc(N)ccc1Oc1ccccc1.
What is the InChIKey of 1-(5-amino-2-phenoxyphenyl)propan-1-one?
The InChIKey is CUDCCLPEKMYVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-14(17)13-10-11(16)8-9-15(13)18-12-6-4-3-5-7-12/h3-10H,2,16H2,1H3.
What are the key properties of 1-(5-amino-2-phenoxyphenyl)propan-1-one?
1-(5-amino-2-phenoxyphenyl)propan-1-one has a molecular weight of 241.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-phenoxyphenyl)propan-1-one is sourced from PubChem (CID 174383194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).