1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one

C17H19NO2 — CID 83988037

IUPAC1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cc(Oc2ccccc2)ccc1N
InChIInChI=1S/C17H19NO2/c1-12(2)10-17(19)15-11-14(8-9-16(15)18)20-13-6-4-3-5-7-13/h3-9,11-12H,10,18H2,1-2H3
InChIKeyFMCPADFHFMYNKY-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.29
Rot. Bonds5

About 1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one

1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one (PubChem CID 83988037) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one
PubChem CID83988037
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cc(Oc2ccccc2)ccc1N
InChIInChI=1S/C17H19NO2/c1-12(2)10-17(19)15-11-14(8-9-16(15)18)20-13-6-4-3-5-7-13/h3-9,11-12H,10,18H2,1-2H3
InChIKeyFMCPADFHFMYNKY-UHFFFAOYSA-N
XLogP4.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.29
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

1-(2-amino-5-methoxyphenyl)-3-methylbutan-1-one
CID 83987880
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442
2-amino-5-(3-propan-2-ylphenoxy)benzoic acid
CID 60986562
1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone
CID 104613187
2-amino-5-(4-iodophenoxy)benzoic acid
CID 60987724
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-one
CID 83988112
2-amino-5-(4-carbamoylphenoxy)benzoic acid
CID 60986679
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
(2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate
CID 57218645
1-[2-amino-5-(4-iodophenoxy)phenyl]ethanone
CID 104613269
2-methyl-5-phenoxybenzamide;hydrochloride
CID 174534962
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one?
The IUPAC name of 1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one (CID 83988037) is 1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one is CC(C)CC(=O)c1cc(Oc2ccccc2)ccc1N.
What is the InChIKey of 1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one?
The InChIKey is FMCPADFHFMYNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(2)10-17(19)15-11-14(8-9-16(15)18)20-13-6-4-3-5-7-13/h3-9,11-12H,10,18H2,1-2H3.
What are the key properties of 1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one?
1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one has a molecular weight of 269.34 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 83988037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).