2-amino-1-(3-propylphenyl)ethanone

C11H15NO — CID 116548428

IUPAC2-amino-1-(3-propylphenyl)ethanone
SMILESCCCc1cccc(C(=O)CN)c1
InChIInChI=1S/C11H15NO/c1-2-4-9-5-3-6-10(7-9)11(13)8-12/h3,5-7H,2,4,8,12H2,1H3
InChIKeyDJUCFTPITVYCLU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.78
Rot. Bonds4

About 2-amino-1-(3-propylphenyl)ethanone

2-amino-1-(3-propylphenyl)ethanone (PubChem CID 116548428) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-amino-1-(3-propylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-propylphenyl)ethanone
PubChem CID116548428
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-amino-1-(3-propylphenyl)ethanone
SMILESCCCc1cccc(C(=O)CN)c1
InChIInChI=1S/C11H15NO/c1-2-4-9-5-3-6-10(7-9)11(13)8-12/h3,5-7H,2,4,8,12H2,1H3
InChIKeyDJUCFTPITVYCLU-UHFFFAOYSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
CID 116549544
1-(3-propylphenyl)heptan-1-one
CID 115812204
2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
CID 116543168
1-(3-propylphenyl)-2-propylsulfanylethanone
CID 116543248
2-(aminomethyl)-2-ethyl-1-(3-propylphenyl)butan-1-one
CID 116603848
3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one
CID 116608801
methyl 3-propylbenzoate
CID 12861009
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
CID 105133909
1-phenyl-2-(3-propylphenyl)ethanone
CID 152762612
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
CID 116917494
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
1-(3-propylphenyl)-2-pyridin-2-ylethanone
CID 116543105

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-propylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-propylphenyl)ethanone (CID 116548428) is 2-amino-1-(3-propylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-propylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-propylphenyl)ethanone is CCCc1cccc(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(3-propylphenyl)ethanone?
The InChIKey is DJUCFTPITVYCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-9-5-3-6-10(7-9)11(13)8-12/h3,5-7H,2,4,8,12H2,1H3.
What are the key properties of 2-amino-1-(3-propylphenyl)ethanone?
2-amino-1-(3-propylphenyl)ethanone has a molecular weight of 177.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-propylphenyl)ethanone is sourced from PubChem (CID 116548428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).