2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone

C21H27NO2 — CID 18333896

IUPAC2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-21(2,3)17-12-10-16(11-13-17)14-22(4)15-19(23)18-8-6-7-9-20(18)24-5/h6-13H,14-15H2,1-5H3
InChIKeyBDKUXHZOUKUQSQ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.31
Rot. Bonds6

About 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone

2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone (PubChem CID 18333896) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone
PubChem CID18333896
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-21(2,3)17-12-10-16(11-13-17)14-22(4)15-19(23)18-8-6-7-9-20(18)24-5/h6-13H,14-15H2,1-5H3
InChIKeyBDKUXHZOUKUQSQ-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone
CID 18333926
1-(2-methoxyphenyl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052794
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 81058182
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
1-(2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650482
2-[[2-(2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681671
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide
CID 86593207
methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate
CID 126761416
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 104552748
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
CID 115259966

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone (CID 18333896) is 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CN(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone?
The InChIKey is BDKUXHZOUKUQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-21(2,3)17-12-10-16(11-13-17)14-22(4)15-19(23)18-8-6-7-9-20(18)24-5/h6-13H,14-15H2,1-5H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone?
2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone has a molecular weight of 325.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 18333896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).