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

C20H25NO2 — CID 18333926

IUPAC2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone
SMILESCN(CC(=O)c1ccccc1O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)16-11-9-15(10-12-16)13-21(4)14-19(23)17-7-5-6-8-18(17)22/h5-12,22H,13-14H2,1-4H3
InChIKeyYLDLKVDHCLQZLG-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.00
Rot. Bonds5

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

2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone (PubChem CID 18333926) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone
PubChem CID18333926
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone
SMILESCN(CC(=O)c1ccccc1O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)16-11-9-15(10-12-16)13-21(4)14-19(23)17-7-5-6-8-18(17)22/h5-12,22H,13-14H2,1-4H3
InChIKeyYLDLKVDHCLQZLG-UHFFFAOYSA-N
XLogP4.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone
CID 18333896
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62029618
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-tert-butylphenyl)methyl-methylamino]ethanone
CID 4827469
methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate
CID 126761416
6-amino-5-[2-[(4-tert-butylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 8908549
2-bromo-N-[(4-tert-butylphenyl)methyl]-N-methylethanamine
CID 80674852
6-amino-1-benzyl-5-[2-[(4-tert-butylphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
CID 2115380
1-(2-methoxyphenyl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052794
2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 62052898
N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine
CID 18333903
2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone
CID 114967852

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone (CID 18333926) is 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone is CN(CC(=O)c1ccccc1O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone?
The InChIKey is YLDLKVDHCLQZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2,3)16-11-9-15(10-12-16)13-21(4)14-19(23)17-7-5-6-8-18(17)22/h5-12,22H,13-14H2,1-4H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone?
2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone has a molecular weight of 311.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 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-hydroxyphenyl)ethanone is sourced from PubChem (CID 18333926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).