methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate

C20H23NO2 — CID 134954112

IUPACmethyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1ccc(N2CCCC2)cc1C
InChIInChI=1S/C20H23NO2/c1-15-14-17(21-12-6-7-13-21)10-11-18(15)19(20(22)23-2)16-8-4-3-5-9-16/h3-5,8-11,14,19H,6-7,12-13H2,1-2H3
InChIKeyWDODHJIJXGOLLD-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.90
Rot. Bonds4

About methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate

methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate (PubChem CID 134954112) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate
PubChem CID134954112
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namemethyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1ccc(N2CCCC2)cc1C
InChIInChI=1S/C20H23NO2/c1-15-14-17(21-12-6-7-13-21)10-11-18(15)19(20(22)23-2)16-8-4-3-5-9-16/h3-5,8-11,14,19H,6-7,12-13H2,1-2H3
InChIKeyWDODHJIJXGOLLD-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate
CID 122228439
(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
CID 66514395
ethyl 2-phenyl-2-(2-piperidin-1-ylphenyl)acetate
CID 54107897
2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide
CID 135320152
(1S)-1-(2-methyl-4-pyrrolidin-1-ylphenyl)ethane-1,2-diamine
CID 66517550
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
methyl 2-[4-[4-[(2-methylbenzoyl)amino]phenyl]piperazin-1-yl]-2-phenylacetate
CID 16666631
(1S)-1-(2-methyl-4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 66518007
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 93487464
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)propanoic acid
CID 117376272

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate?
The IUPAC name of methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate (CID 134954112) is methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate?
The canonical SMILES for methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate is COC(=O)C(c1ccccc1)c1ccc(N2CCCC2)cc1C.
What is the InChIKey of methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate?
The InChIKey is WDODHJIJXGOLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-14-17(21-12-6-7-13-21)10-11-18(15)19(20(22)23-2)16-8-4-3-5-9-16/h3-5,8-11,14,19H,6-7,12-13H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate?
methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate has a molecular weight of 309.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate is sourced from PubChem (CID 134954112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).