2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one

C13H19NO — CID 116923949

IUPAC2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one
SMILESCCC(CNC)C(=O)c1ccccc1C
InChIInChI=1S/C13H19NO/c1-4-11(9-14-3)13(15)12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3
InChIKeySWVRCNBNEAIDGQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.42
Rot. Bonds5

About 2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one

2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one (PubChem CID 116923949) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one
PubChem CID116923949
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one
SMILESCCC(CNC)C(=O)c1ccccc1C
InChIInChI=1S/C13H19NO/c1-4-11(9-14-3)13(15)12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3
InChIKeySWVRCNBNEAIDGQ-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541
2-(methylamino)-1-(2-methylphenyl)propan-1-one
CID 56603536
methyl 2-(2-ethylbutanoyl)benzoate
CID 146010995
1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586829
2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365362
3-methyl-1-(2-methylphenyl)pentan-1-one
CID 62620781
(2-methylphenyl) 2-ethylbutanoate
CID 78776856
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631
2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
CID 115188762
ethyl 2-(methylaminomethyl)butanoate
CID 23272258
2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide
CID 115188725
methyl 4-(2-ethylbutanoyl)-3-methylbenzoate
CID 146011231

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one?
The IUPAC name of 2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one (CID 116923949) is 2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one.
What is the SMILES notation for 2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one?
The canonical SMILES for 2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one is CCC(CNC)C(=O)c1ccccc1C.
What is the InChIKey of 2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one?
The InChIKey is SWVRCNBNEAIDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-11(9-14-3)13(15)12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3.
What are the key properties of 2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one?
2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-1-(2-methylphenyl)butan-1-one is sourced from PubChem (CID 116923949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).