2-(4-aminophenyl)pentan-3-one

C11H15NO — CID 130817117

IUPAC2-(4-aminophenyl)pentan-3-one
SMILESCCC(=O)C(C)c1ccc(N)cc1
InChIInChI=1S/C11H15NO/c1-3-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3,12H2,1-2H3
InChIKeyIVAFLXXTXFDIML-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-aminophenyl)pentan-3-one

2-(4-aminophenyl)pentan-3-one (PubChem CID 130817117) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)pentan-3-one.

Molecular Properties

Compound Name2-(4-aminophenyl)pentan-3-one
PubChem CID130817117
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(4-aminophenyl)pentan-3-one
SMILESCCC(=O)C(C)c1ccc(N)cc1
InChIInChI=1S/C11H15NO/c1-3-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3,12H2,1-2H3
InChIKeyIVAFLXXTXFDIML-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-1-cyclopropylbutan-2-one
CID 21294076
2-(4-propan-2-yloxyphenyl)pentan-3-one
CID 79308465
4-(3-oxopentan-2-yl)benzonitrile
CID 137429446
2-(4-aminophenyl)-4-methylpentan-3-one
CID 130817118
3-(4-aminophenyl)-2-oxobutanoic acid
CID 58875209
methyl 2-(4-aminophenyl)propanoate
CID 3016109
2-(4-propoxyphenyl)pentan-3-one
CID 79307354
2-(3,4-difluorophenyl)pentan-3-one
CID 79307864
tert-butyl (2R)-2-(4-aminophenyl)propanoate
CID 177349025
2-(3-bromo-4-fluorophenyl)pentan-3-one
CID 79308165
2-(4-methylphenyl)hexan-3-one
CID 83047098
1-(4-aminophenyl)propan-1-one
CID 6270

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)pentan-3-one?
The IUPAC name of 2-(4-aminophenyl)pentan-3-one (CID 130817117) is 2-(4-aminophenyl)pentan-3-one.
What is the SMILES notation for 2-(4-aminophenyl)pentan-3-one?
The canonical SMILES for 2-(4-aminophenyl)pentan-3-one is CCC(=O)C(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)pentan-3-one?
The InChIKey is IVAFLXXTXFDIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3,12H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)pentan-3-one?
2-(4-aminophenyl)pentan-3-one has a molecular weight of 177.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)pentan-3-one is sourced from PubChem (CID 130817117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).