[(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone

C20H23NO2 — CID 101353476

IUPAC[(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone
SMILESCOCCN1CC[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H23NO2/c1-23-15-14-21-13-12-18(19(21)16-8-4-2-5-9-16)20(22)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19+/m0/s1
InChIKeyIZJFGFGHBVEAQF-RBUKOAKNSA-N
MW309.41 g/mol
LogP3.58
Rot. Bonds6

About [(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone

[(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone (PubChem CID 101353476) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone
PubChem CID101353476
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone
SMILESCOCCN1CC[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H23NO2/c1-23-15-14-21-13-12-18(19(21)16-8-4-2-5-9-16)20(22)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19+/m0/s1
InChIKeyIZJFGFGHBVEAQF-RBUKOAKNSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3S)-2-(4-methoxyphenyl)-1-pentylpyrrolidin-3-yl]-phenylmethanone
CID 101197737
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7144611
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
methyl (2R,3S)-1-methyl-2-phenylpiperidine-3-carboxylate
CID 150173428
[(4aS,7aR)-4-(2-methoxyethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-phenylmethanone
CID 124798189
(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 150837589
ethane;methyl 1-methyl-2-phenylpiperidine-3-carboxylate
CID 91342907
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone?
The IUPAC name of [(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone (CID 101353476) is [(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone?
The canonical SMILES for [(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone is COCCN1CC[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of [(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone?
The InChIKey is IZJFGFGHBVEAQF-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-15-14-21-13-12-18(19(21)16-8-4-2-5-9-16)20(22)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of [(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone?
[(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone has a molecular weight of 309.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-(2-methoxyethyl)-2-phenylpyrrolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 101353476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).