1-(4-aminophenyl)propan-1-one

C9H11NO — CID 6270

IUPAC1-(4-aminophenyl)propan-1-one
SMILESCCC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChIKeyFSWXOANXOQPCFF-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.86
Rot. Bonds2

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

1-(4-aminophenyl)propan-1-one (PubChem CID 6270) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(4-aminophenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)propan-1-one
PubChem CID6270
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(4-aminophenyl)propan-1-one
SMILESCCC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChIKeyFSWXOANXOQPCFF-UHFFFAOYSA-N
XLogP1.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.86
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

1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline
CID 161301580
1-(4-aminophenyl)-2-hydroxyethanone
CID 19755805
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
1-(4-aminophenyl)-2-sulfanylethanone
CID 89175546
1-phenyl(111C)propan-1-one
CID 11159350
1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
CID 170896135
4-propanoylbenzenesulfonamide
CID 70209431
methane;1-phenylpropan-1-one
CID 67638055
1-phenylpropan-1-one;zirconium
CID 173295106
1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
CID 134887749
ethyl 4-aminobenzoate
CID 2337
1-(3-aminophenyl)propan-1-one;propane
CID 145257024

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)propan-1-one?
The IUPAC name of 1-(4-aminophenyl)propan-1-one (CID 6270) is 1-(4-aminophenyl)propan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)propan-1-one?
The canonical SMILES for 1-(4-aminophenyl)propan-1-one is CCC(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)propan-1-one?
The InChIKey is FSWXOANXOQPCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3.
What are the key properties of 1-(4-aminophenyl)propan-1-one?
1-(4-aminophenyl)propan-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)propan-1-one is sourced from PubChem (CID 6270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).