1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one

C12H17NO — CID 116955821

IUPAC1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)c1ccc(C)cc1C
InChIInChI=1S/C12H17NO/c1-8-5-6-11(9(2)7-8)12(13-4)10(3)14/h5-7,12-13H,1-4H3
InChIKeyBRIMNZKEDWNHJR-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.15
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one

1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one (PubChem CID 116955821) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one
PubChem CID116955821
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)c1ccc(C)cc1C
InChIInChI=1S/C12H17NO/c1-8-5-6-11(9(2)7-8)12(13-4)10(3)14/h5-7,12-13H,1-4H3
InChIKeyBRIMNZKEDWNHJR-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005127
1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one
CID 116955940
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde
CID 116954143
2-(2,4-dimethylphenyl)-2-(ethylamino)acetamide
CID 60786894
1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116961880
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
methyl 4-(2,4-dimethylphenyl)-4-hydroxy-3-(methylamino)butanoate
CID 82349770
(E)-4-(2,4-dimethylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956287
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
3-(2,4-dimethylphenyl)-N-methylbutanamide
CID 82077150
methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
CID 116955511

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one (CID 116955821) is 1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one is CNC(C(C)=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one?
The InChIKey is BRIMNZKEDWNHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-5-6-11(9(2)7-8)12(13-4)10(3)14/h5-7,12-13H,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one?
1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one is sourced from PubChem (CID 116955821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).