2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one

C18H21NO2 — CID 68740587

IUPAC2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one
SMILESCNC(c1ccccc1)c1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,21)17(20)15-11-9-14(10-12-15)16(19-3)13-7-5-4-6-8-13/h4-12,16,19,21H,1-3H3
InChIKeyHGSFLCVOMCYRDT-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.95
Rot. Bonds5

About 2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one

2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one (PubChem CID 68740587) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one
PubChem CID68740587
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one
SMILESCNC(c1ccccc1)c1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,21)17(20)15-11-9-14(10-12-15)16(19-3)13-7-5-4-6-8-13/h4-12,16,19,21H,1-3H3
InChIKeyHGSFLCVOMCYRDT-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite
CID 143790931
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2-hydroxy-1-[4-[1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]propyl]phenyl]-2-methylpropan-1-one
CID 173118235
2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one
CID 66718665
2-hydroxy-1-[4-[hydroxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one;propane
CID 142964351
4-[methylamino(pyridin-2-yl)methyl]benzoic acid
CID 116953941
[4-[methylamino(phenyl)methyl]phenyl]methanediamine
CID 165139654
2,6-ditert-butyl-4-[methylamino(phenyl)methyl]phenol
CID 139761917
2-hydroxy-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-methylpropan-1-one
CID 68739045
3-hydroxy-1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-3-methyl-4-phenylbutan-2-one
CID 175704977
2-(benzhydrylamino)-2-methylpropanoic acid
CID 174216539
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one (CID 68740587) is 2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one is CNC(c1ccccc1)c1ccc(C(=O)C(C)(C)O)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one?
The InChIKey is HGSFLCVOMCYRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,21)17(20)15-11-9-14(10-12-15)16(19-3)13-7-5-4-6-8-13/h4-12,16,19,21H,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one?
2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one has a molecular weight of 283.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one is sourced from PubChem (CID 68740587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).