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

C11H15NO — CID 56603536

IUPAC2-(methylamino)-1-(2-methylphenyl)propan-1-one
SMILESCNC(C)C(=O)c1ccccc1C
InChIInChI=1S/C11H15NO/c1-8-6-4-5-7-10(8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
InChIKeyPRGXFAWAMOFULD-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.79
Rot. Bonds3

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

2-(methylamino)-1-(2-methylphenyl)propan-1-one (PubChem CID 56603536) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(2-methylphenyl)propan-1-one
PubChem CID56603536
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(methylamino)-1-(2-methylphenyl)propan-1-one
SMILESCNC(C)C(=O)c1ccccc1C
InChIInChI=1S/C11H15NO/c1-8-6-4-5-7-10(8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
InChIKeyPRGXFAWAMOFULD-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 121217093
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lithium;hydride;2-methylbenzoic acid;N-methylmethanamine
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1-[(2-methylbenzoyl)amino]ethylphosphanide
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3-(2-methylphenyl)-3-oxo-2-phenylpropanamide
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[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
2-methyl-1-(2-methylphenyl)-3-piperidin-1-ium-1-ylpropan-1-one
CID 59733550
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
sodium 1-[(2-methylbenzoyl)amino]ethylphosphanide
CID 156861333
1-(2-methylphenyl)ethanone;propan-2-ol;titanium
CID 59928874
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 2-(methylamino)-1-(2-methylphenyl)propan-1-one (CID 56603536) is 2-(methylamino)-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(methylamino)-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 2-(methylamino)-1-(2-methylphenyl)propan-1-one is CNC(C)C(=O)c1ccccc1C.
What is the InChIKey of 2-(methylamino)-1-(2-methylphenyl)propan-1-one?
The InChIKey is PRGXFAWAMOFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-4-5-7-10(8)11(13)9(2)12-3/h4-7,9,12H,1-3H3.
What are the key properties of 2-(methylamino)-1-(2-methylphenyl)propan-1-one?
2-(methylamino)-1-(2-methylphenyl)propan-1-one has a molecular weight of 177.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 56603536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).