1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one

C16H25NO2 — CID 116923528

IUPAC1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one
SMILESCNCC(C(=O)c1cc(C)cc(C)c1OC)C(C)C
InChIInChI=1S/C16H25NO2/c1-10(2)14(9-17-5)15(18)13-8-11(3)7-12(4)16(13)19-6/h7-8,10,14,17H,9H2,1-6H3
InChIKeyUWYBMJBMEVDLDK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds6

About 1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one

1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one (PubChem CID 116923528) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one
PubChem CID116923528
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one
SMILESCNCC(C(=O)c1cc(C)cc(C)c1OC)C(C)C
InChIInChI=1S/C16H25NO2/c1-10(2)14(9-17-5)15(18)13-8-11(3)7-12(4)16(13)19-6/h7-8,10,14,17H,9H2,1-6H3
InChIKeyUWYBMJBMEVDLDK-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate
CID 82349209
2-bromo-2-chloro-1-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 116863877
N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
CID 115271616
3-(2-hydroxyethylamino)-4-(2-methoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
CID 82322782
1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918725
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
CID 96661449
2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83833912
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151967
2-methoxy-N',3,5-trimethylbenzenecarboximidamide
CID 116827784
N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide
CID 83531039

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one (CID 116923528) is 1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one is CNCC(C(=O)c1cc(C)cc(C)c1OC)C(C)C.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one?
The InChIKey is UWYBMJBMEVDLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(2)14(9-17-5)15(18)13-8-11(3)7-12(4)16(13)19-6/h7-8,10,14,17H,9H2,1-6H3.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one?
1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one is sourced from PubChem (CID 116923528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).