2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one

C17H19NO4 — CID 46307410

IUPAC2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Oc2ccccc2N)cc1OC
InChIInChI=1S/C17H19NO4/c1-11(22-14-7-5-4-6-13(14)18)17(19)12-8-9-15(20-2)16(10-12)21-3/h4-11H,18H2,1-3H3
InChIKeySZZPKQMNZSEBPD-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.94
Rot. Bonds6

About 2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one

2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one (PubChem CID 46307410) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one
PubChem CID46307410
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Oc2ccccc2N)cc1OC
InChIInChI=1S/C17H19NO4/c1-11(22-14-7-5-4-6-13(14)18)17(19)12-8-9-15(20-2)16(10-12)21-3/h4-11H,18H2,1-3H3
InChIKeySZZPKQMNZSEBPD-UHFFFAOYSA-N
XLogP2.94
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 46307411
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
(2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one
CID 15605807
4-(2-aminophenoxy)-3-methoxybenzoic acid
CID 69280746
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
CID 2981353
(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 10569527
3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate
CID 2237504
2-(4-carbamothioyl-2-methoxyphenoxy)propanoic acid
CID 55133621
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
propan-2-yl 2-(2-aminophenoxy)propanoate
CID 82027633

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one?
The IUPAC name of 2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one (CID 46307410) is 2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)Oc2ccccc2N)cc1OC.
What is the InChIKey of 2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one?
The InChIKey is SZZPKQMNZSEBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11(22-14-7-5-4-6-13(14)18)17(19)12-8-9-15(20-2)16(10-12)21-3/h4-11H,18H2,1-3H3.
What are the key properties of 2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one?
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one has a molecular weight of 301.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 46307410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).