2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone

C13H15F2NO — CID 107514850

IUPAC2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNCC2CC2)c(F)c1F
InChIInChI=1S/C13H15F2NO/c1-8-2-5-10(13(15)12(8)14)11(17)7-16-6-9-3-4-9/h2,5,9,16H,3-4,6-7H2,1H3
InChIKeyBYEADXTVOIQYNY-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.46
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone

2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone (PubChem CID 107514850) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone
PubChem CID107514850
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNCC2CC2)c(F)c1F
InChIInChI=1S/C13H15F2NO/c1-8-2-5-10(13(15)12(8)14)11(17)7-16-6-9-3-4-9/h2,5,9,16H,3-4,6-7H2,1H3
InChIKeyBYEADXTVOIQYNY-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-difluoro-4-methylphenyl)-3-oxopropanoic acid
CID 170887172
1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
CID 107514868
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone
CID 107561237
2-(cyclopropylmethylamino)-1-(3,5-difluorophenyl)ethanone
CID 116557749
2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone
CID 116557703
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107514948
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone (CID 107514850) is 2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)CNCC2CC2)c(F)c1F.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone?
The InChIKey is BYEADXTVOIQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-8-2-5-10(13(15)12(8)14)11(17)7-16-6-9-3-4-9/h2,5,9,16H,3-4,6-7H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone?
2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone has a molecular weight of 239.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 107514850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).