1-(2-amino-5-methylphenyl)-2-cyclopropylethanone

C12H15NO — CID 116581446

IUPAC1-(2-amino-5-methylphenyl)-2-cyclopropylethanone
SMILESCc1ccc(N)c(C(=O)CC2CC2)c1
InChIInChI=1S/C12H15NO/c1-8-2-5-11(13)10(6-8)12(14)7-9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3
InChIKeyDBTTXEUUOMLATE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-amino-5-methylphenyl)-2-cyclopropylethanone

1-(2-amino-5-methylphenyl)-2-cyclopropylethanone (PubChem CID 116581446) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-2-cyclopropylethanone.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-2-cyclopropylethanone
PubChem CID116581446
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2-amino-5-methylphenyl)-2-cyclopropylethanone
SMILESCc1ccc(N)c(C(=O)CC2CC2)c1
InChIInChI=1S/C12H15NO/c1-8-2-5-11(13)10(6-8)12(14)7-9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3
InChIKeyDBTTXEUUOMLATE-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.56
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-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821
1-(2-amino-5-methylphenyl)-4-methylpentan-1-one
CID 116581267
[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768796
2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone
CID 116546935
2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63553709
2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 144525769
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263
(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 116581278
(2-amino-5-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112623690

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-2-cyclopropylethanone?
The IUPAC name of 1-(2-amino-5-methylphenyl)-2-cyclopropylethanone (CID 116581446) is 1-(2-amino-5-methylphenyl)-2-cyclopropylethanone.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-2-cyclopropylethanone?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-2-cyclopropylethanone is Cc1ccc(N)c(C(=O)CC2CC2)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-2-cyclopropylethanone?
The InChIKey is DBTTXEUUOMLATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-2-5-11(13)10(6-8)12(14)7-9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3.
What are the key properties of 1-(2-amino-5-methylphenyl)-2-cyclopropylethanone?
1-(2-amino-5-methylphenyl)-2-cyclopropylethanone has a molecular weight of 189.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-2-cyclopropylethanone is sourced from PubChem (CID 116581446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).