2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one

C16H17NO2 — CID 46307478

IUPAC2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2cccc(N)c2)cc1
InChIInChI=1S/C16H17NO2/c1-11-6-8-13(9-7-11)16(18)12(2)19-15-5-3-4-14(17)10-15/h3-10,12H,17H2,1-2H3
InChIKeyKTHICAWEVLUKOS-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one

2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one (PubChem CID 46307478) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
PubChem CID46307478
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2cccc(N)c2)cc1
InChIInChI=1S/C16H17NO2/c1-11-6-8-13(9-7-11)16(18)12(2)19-15-5-3-4-14(17)10-15/h3-10,12H,17H2,1-2H3
InChIKeyKTHICAWEVLUKOS-UHFFFAOYSA-N
XLogP3.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.23
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-(3-aminophenoxy)-1-(2,4-dimethylphenyl)propan-1-one
CID 46307509
2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
CID 60625693
2-(3-aminophenoxy)propanamide
CID 43115971
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
2-(3-aminophenoxy)-1-(2,5-dibromophenyl)propan-1-one
CID 46307593
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylphenyl)propan-1-one
CID 43411837
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-aminobenzoate
CID 51980309
2-[3-(4-methylbenzoyl)phenoxy]propanoic acid
CID 3057760
2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one
CID 62034536
2,2,2-trifluoroethyl (2S)-2-(3-aminophenoxy)propanoate
CID 100616854

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one (CID 46307478) is 2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)Oc2cccc(N)c2)cc1.
What is the InChIKey of 2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one?
The InChIKey is KTHICAWEVLUKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-6-8-13(9-7-11)16(18)12(2)19-15-5-3-4-14(17)10-15/h3-10,12H,17H2,1-2H3.
What are the key properties of 2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one?
2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one has a molecular weight of 255.32 g/mol, XLogP of 3.23, 4 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-methylphenyl)propan-1-one is sourced from PubChem (CID 46307478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).