2-[3-(dimethylamino)phenoxy]-1-phenylethanone

C16H17NO2 — CID 60773053

IUPAC2-[3-(dimethylamino)phenoxy]-1-phenylethanone
SMILESCN(C)c1cccc(OCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H17NO2/c1-17(2)14-9-6-10-15(11-14)19-12-16(18)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChIKeyQOONKOZQOUIBEA-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.01
Rot. Bonds5

About 2-[3-(dimethylamino)phenoxy]-1-phenylethanone

2-[3-(dimethylamino)phenoxy]-1-phenylethanone (PubChem CID 60773053) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenoxy]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenoxy]-1-phenylethanone
PubChem CID60773053
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[3-(dimethylamino)phenoxy]-1-phenylethanone
SMILESCN(C)c1cccc(OCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H17NO2/c1-17(2)14-9-6-10-15(11-14)19-12-16(18)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3
InChIKeyQOONKOZQOUIBEA-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenacyl 3-(dimethylamino)benzoate
CID 624872
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
2-(3-butoxyphenoxy)-1-phenylethanone
CID 15692245
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone
CID 122385520
3-amino-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 112511325
phenol;2-phenoxy-1-phenylethanone
CID 161484281
(E)-4-[3-(dimethylamino)phenoxy]but-2-enoic acid
CID 62343701
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
CID 82224178
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenoxy]-1-phenylethanone?
The IUPAC name of 2-[3-(dimethylamino)phenoxy]-1-phenylethanone (CID 60773053) is 2-[3-(dimethylamino)phenoxy]-1-phenylethanone.
What is the SMILES notation for 2-[3-(dimethylamino)phenoxy]-1-phenylethanone?
The canonical SMILES for 2-[3-(dimethylamino)phenoxy]-1-phenylethanone is CN(C)c1cccc(OCC(=O)c2ccccc2)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenoxy]-1-phenylethanone?
The InChIKey is QOONKOZQOUIBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(2)14-9-6-10-15(11-14)19-12-16(18)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)phenoxy]-1-phenylethanone?
2-[3-(dimethylamino)phenoxy]-1-phenylethanone has a molecular weight of 255.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenoxy]-1-phenylethanone is sourced from PubChem (CID 60773053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).