1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(methylamino)-1-(3-methylphenyl)propan-1-one

2.1.2 InChI

InChI=1S/C11H15NO/c1-8-5-4-6-10(7-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3

2.1.3 InChI Key

QDNXSIYWHYGMCD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC=C1)C(=O)C(C)NC

2.2 Other Identifiers

2.2.1 UNII

73Q9QTO1N4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-mmc Compound

2.3.2 Depositor-Supplied Synonyms

1. 3-mmc

2. 1246816-62-5

3. 2-(methylamino)-1-(3-methylphenyl)-1-propanone

4. 2-(methylamino)-1-(3-methylphenyl)propan-1-one

5. Unii-73q9qto1n4

6. 73q9qto1n4

7. 1-propanone, 2-(methylamino)-1-(3-methylphenyl)-

8. 3-methylmethcathinone (hydrochloride)

9. Mepedrone

10. 3-methylmethcathinone (3-mmc)

11. Schembl20472228

12. Qdnxsiywhygmcd-uhfffaoysa-n

13. Dtxsid401043421

14. Pd048123

15. Ft-0701142

16. 1-(3-methylphenyl)-2-(methylamino)-1-propanone

17. Q27266198

18. 1246911-86-3

2.4 Create Date

2013-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅NO
Molecular Weight	177.24 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	29.1
Heavy Atom Count	13
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

2-(methylamino)-1-(3-methylphenyl)propan-1-one

2-(methylamino)-1-(3-methylphenyl)propan-1-one

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