3-(4-aminophenyl)-1-cyclopropylpropan-1-one

C12H15NO — CID 115605902

IUPAC3-(4-aminophenyl)-1-cyclopropylpropan-1-one
SMILESNc1ccc(CCC(=O)C2CC2)cc1
InChIInChI=1S/C12H15NO/c13-11-6-1-9(2-7-11)3-8-12(14)10-4-5-10/h1-2,6-7,10H,3-5,8,13H2
InChIKeyJFQJPGGUHPNHQA-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.18
Rot. Bonds4

About 3-(4-aminophenyl)-1-cyclopropylpropan-1-one

3-(4-aminophenyl)-1-cyclopropylpropan-1-one (PubChem CID 115605902) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-cyclopropylpropan-1-one
PubChem CID115605902
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(4-aminophenyl)-1-cyclopropylpropan-1-one
SMILESNc1ccc(CCC(=O)C2CC2)cc1
InChIInChI=1S/C12H15NO/c13-11-6-1-9(2-7-11)3-8-12(14)10-4-5-10/h1-2,6-7,10H,3-5,8,13H2
InChIKeyJFQJPGGUHPNHQA-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
CID 143103497
1-cyclopropyl-3-(3,5-dimethylphenyl)propan-1-one
CID 24726531
1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one
CID 64505005
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
1-cyclopropyl-3-(furan-3-yl)propan-1-one
CID 64504771
1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
CID 24726014
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
1-(4-aminophenyl)hex-5-yn-3-one
CID 116605362
cyclohexylmethyl 3-(4-aminophenyl)propanoate
CID 61314323
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-cyclopropylpropan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-cyclopropylpropan-1-one (CID 115605902) is 3-(4-aminophenyl)-1-cyclopropylpropan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-cyclopropylpropan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-cyclopropylpropan-1-one is Nc1ccc(CCC(=O)C2CC2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-cyclopropylpropan-1-one?
The InChIKey is JFQJPGGUHPNHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-11-6-1-9(2-7-11)3-8-12(14)10-4-5-10/h1-2,6-7,10H,3-5,8,13H2.
What are the key properties of 3-(4-aminophenyl)-1-cyclopropylpropan-1-one?
3-(4-aminophenyl)-1-cyclopropylpropan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-cyclopropylpropan-1-one is sourced from PubChem (CID 115605902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).