1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone

C13H17NO — CID 116576667

IUPAC1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2(N)CC2)cc1C
InChIInChI=1S/C13H17NO/c1-9-3-4-11(7-10(9)2)8-12(15)13(14)5-6-13/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyJAZVIEGDGLPWMV-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.91
Rot. Bonds3

About 1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone

1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 116576667) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID116576667
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2(N)CC2)cc1C
InChIInChI=1S/C13H17NO/c1-9-3-4-11(7-10(9)2)8-12(15)13(14)5-6-13/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyJAZVIEGDGLPWMV-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone (CID 116576667) is 1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)C2(N)CC2)cc1C.
What is the InChIKey of 1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is JAZVIEGDGLPWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-3-4-11(7-10(9)2)8-12(15)13(14)5-6-13/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of 1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone?
1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 203.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 116576667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).