2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate

C18H20FNO2 — CID 66728374

IUPAC2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate
SMILESCN(C)[C@@H](C(=O)OCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C18H20FNO2/c1-20(2)17(15-10-6-7-11-16(15)19)18(21)22-13-12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyOGPGOANBDLXFHI-QGZVFWFLSA-N
MW301.36 g/mol
LogP3.21
Rot. Bonds6

About 2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate

2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate (PubChem CID 66728374) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate
PubChem CID66728374
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate
SMILESCN(C)[C@@H](C(=O)OCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C18H20FNO2/c1-20(2)17(15-10-6-7-11-16(15)19)18(21)22-13-12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyOGPGOANBDLXFHI-QGZVFWFLSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
[(1R)-1-phenylethyl] 2-(dimethylamino)-2-(2-fluorophenyl)acetate
CID 174612422
1-phenylethyl (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetate
CID 70865763
2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
CID 84751337
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
CID 120885216
2-[4-[2-[(2S)-2-amino-3-phenylpropanoyl]oxyethyl]phenyl]ethyl (2S)-2-amino-3-phenylpropanoate
CID 102020436
2-phenylethyl acetate
CID 7654
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate?
The IUPAC name of 2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate (CID 66728374) is 2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate.
What is the SMILES notation for 2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate?
The canonical SMILES for 2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate is CN(C)[C@@H](C(=O)OCCc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate?
The InChIKey is OGPGOANBDLXFHI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-20(2)17(15-10-6-7-11-16(15)19)18(21)22-13-12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate?
2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate has a molecular weight of 301.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 66728374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).