1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline

C17H22N2O — CID 161301580

IUPAC1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline
SMILESCCC(=O)c1ccc(N)cc1.CN(C)c1ccccc1
InChIInChI=1S/C9H11NO.C8H11N/c1-2-9(11)7-3-5-8(10)6-4-7;1-9(2)8-6-4-3-5-7-8/h3-6H,2,10H2,1H3;3-7H,1-2H3
InChIKeyVHRPEXVSPWHTJV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.61
Rot. Bonds3

About 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline

1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline (PubChem CID 161301580) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline.

Molecular Properties

Compound Name1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline
PubChem CID161301580
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline
SMILESCCC(=O)c1ccc(N)cc1.CN(C)c1ccccc1
InChIInChI=1S/C9H11NO.C8H11N/c1-2-9(11)7-3-5-8(10)6-4-7;1-9(2)8-6-4-3-5-7-8/h3-6H,2,10H2,1H3;3-7H,1-2H3
InChIKeyVHRPEXVSPWHTJV-UHFFFAOYSA-N
XLogP3.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline 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

1-(4-aminophenyl)propan-1-one
CID 6270
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
1-phenyl(111C)propan-1-one
CID 11159350
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
2-(N-methylanilino)ethyl 4-propanoylbenzoate
CID 59444962
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
1-(4-phenylselanylphenyl)propan-1-one
CID 18984785
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline?
The IUPAC name of 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline (CID 161301580) is 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline.
What is the SMILES notation for 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline?
The canonical SMILES for 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline is CCC(=O)c1ccc(N)cc1.CN(C)c1ccccc1.
What is the InChIKey of 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline?
The InChIKey is VHRPEXVSPWHTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C8H11N/c1-2-9(11)7-3-5-8(10)6-4-7;1-9(2)8-6-4-3-5-7-8/h3-6H,2,10H2,1H3;3-7H,1-2H3.
What are the key properties of 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline?
1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline is sourced from PubChem (CID 161301580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).