3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one

C16H25NO2 — CID 94275913

IUPAC3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
SMILESCOc1cc(C)c(C)cc1C(=O)CCNC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-11-9-13(15(19-6)10-12(11)2)14(18)7-8-17-16(3,4)5/h9-10,17H,7-8H2,1-6H3
InChIKeyIBXNIMRIJHXISQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.27
Rot. Bonds5

About 3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one

3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one (PubChem CID 94275913) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
PubChem CID94275913
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
SMILESCOc1cc(C)c(C)cc1C(=O)CCNC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-11-9-13(15(19-6)10-12(11)2)14(18)7-8-17-16(3,4)5/h9-10,17H,7-8H2,1-6H3
InChIKeyIBXNIMRIJHXISQ-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-4,5-dimethylphenyl)-4-oxobutanoic acid
CID 82049173
3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82053835
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
4-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)butan-1-one
CID 94258854
3-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)propan-1-one
CID 116558007
methyl 2-(2-methoxy-4,5-dimethylphenyl)-2-oxoacetate
CID 82114608
4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)pentan-1-one
CID 114970019
2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one
CID 116920372
3-(tert-butylamino)-N-(2-methoxy-4-methylphenyl)propanamide
CID 54863187
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 113370093
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one (CID 94275913) is 3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one is COc1cc(C)c(C)cc1C(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one?
The InChIKey is IBXNIMRIJHXISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-9-13(15(19-6)10-12(11)2)14(18)7-8-17-16(3,4)5/h9-10,17H,7-8H2,1-6H3.
What are the key properties of 3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one?
3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 94275913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).