2-phenylethyl 3-(dimethylamino)benzoate

C17H19NO2 — CID 68590788

IUPAC2-phenylethyl 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-18(2)16-10-6-9-15(13-16)17(19)20-12-11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyMYDJDPCDXBWENA-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.15
Rot. Bonds5

About 2-phenylethyl 3-(dimethylamino)benzoate

2-phenylethyl 3-(dimethylamino)benzoate (PubChem CID 68590788) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-phenylethyl 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-phenylethyl 3-(dimethylamino)benzoate
PubChem CID68590788
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-phenylethyl 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-18(2)16-10-6-9-15(13-16)17(19)20-12-11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyMYDJDPCDXBWENA-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2350078
phenacyl 3-(dimethylamino)benzoate
CID 624872
2-phenylethyl 3-(methylsulfinylmethyl)benzoate
CID 134003713
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
CID 105093194
[3-(2-phenylethoxycarbonyl)phenyl] 3-(2-phenoxyethoxy)benzoate
CID 17162297
[2-[3-(dimethylamino)benzoyl]oxyethyl-methylamino]methanedithiolate;gold
CID 58131310
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518580
[3-(2-phenylethoxycarbonyl)phenyl] 2-methylbenzoate
CID 17162216
3-phenylpropyl 3-hydroxybenzoate
CID 16641326
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260858
2-phenylethyl 4-hydroxybenzoate
CID 11977778

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 3-(dimethylamino)benzoate?
The IUPAC name of 2-phenylethyl 3-(dimethylamino)benzoate (CID 68590788) is 2-phenylethyl 3-(dimethylamino)benzoate.
What is the SMILES notation for 2-phenylethyl 3-(dimethylamino)benzoate?
The canonical SMILES for 2-phenylethyl 3-(dimethylamino)benzoate is CN(C)c1cccc(C(=O)OCCc2ccccc2)c1.
What is the InChIKey of 2-phenylethyl 3-(dimethylamino)benzoate?
The InChIKey is MYDJDPCDXBWENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18(2)16-10-6-9-15(13-16)17(19)20-12-11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-phenylethyl 3-(dimethylamino)benzoate?
2-phenylethyl 3-(dimethylamino)benzoate has a molecular weight of 269.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 3-(dimethylamino)benzoate is sourced from PubChem (CID 68590788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).