1-(4-aminophenyl)butan-1-one

C10H13NO — CID 15527

IUPAC1-(4-aminophenyl)butan-1-one
SMILESCCCC(=O)c1ccc(N)cc1
InChIInChI=1S/C10H13NO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3,11H2,1H3
InChIKeyCYCSOZSEBPZGPC-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.25
Rot. Bonds3

About 1-(4-aminophenyl)butan-1-one

1-(4-aminophenyl)butan-1-one (PubChem CID 15527) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(4-aminophenyl)butan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)butan-1-one
PubChem CID15527
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(4-aminophenyl)butan-1-one
SMILESCCCC(=O)c1ccc(N)cc1
InChIInChI=1S/C10H13NO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3,11H2,1H3
InChIKeyCYCSOZSEBPZGPC-UHFFFAOYSA-N
XLogP2.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Aminobenzamide
CID 1645
2'-Aminoacetophenone
CID 11086
p-Aminopropiophenone
CID 6270
4-Aminobenzamide
CID 76079
p-Aminoacetophenone
CID 7468
4-Aminobenzoic acid hydrazide
CID 21450
3'-Aminoacetophenone
CID 7417
4-Aminobenzaldehyde
CID 11158
p-Nitroacetophenone
CID 7487
4-Aminobenzophenone
CID 14346
N-[4-(1-oxopropyl)phenyl]acetamide
CID 85655
4-amino-N-hydroxybenzamide
CID 245297

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)butan-1-one?
The IUPAC name of 1-(4-aminophenyl)butan-1-one (CID 15527) is 1-(4-aminophenyl)butan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)butan-1-one?
The canonical SMILES for 1-(4-aminophenyl)butan-1-one is CCCC(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)butan-1-one?
The InChIKey is CYCSOZSEBPZGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3,11H2,1H3.
What are the key properties of 1-(4-aminophenyl)butan-1-one?
1-(4-aminophenyl)butan-1-one has a molecular weight of 163.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)butan-1-one is sourced from PubChem (CID 15527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).