(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine

C13H19NO — CID 71204325

IUPAC(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
SMILESCC[C@@H]1C[C@@H](OCc2ccccc2)CN1
InChIInChI=1S/C13H19NO/c1-2-12-8-13(9-14-12)15-10-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyAAMIYIOGFPLCMK-CHWSQXEVSA-N
MW205.30 g/mol
LogP2.34
Rot. Bonds4

About (2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine

(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine (PubChem CID 71204325) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine.

Molecular Properties

Compound Name(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
PubChem CID71204325
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
SMILESCC[C@@H]1C[C@@H](OCc2ccccc2)CN1
InChIInChI=1S/C13H19NO/c1-2-12-8-13(9-14-12)15-10-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyAAMIYIOGFPLCMK-CHWSQXEVSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylmethoxy-2-propan-2-ylpyrrolidine
CID 23588974
4-methoxy-2-(phenylmethoxymethyl)pyrrolidine
CID 22001421
(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide
CID 25179151
ethane;(NE)-N-[[(2S)-4-phenylmethoxypyrrolidin-2-yl]methylidene]hydroxylamine;toluene
CID 155739040
methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile
CID 155739038
5-methyl-3-phenylmethoxyazepane
CID 123477831
[(2S,4R)-4-[(4-decylphenyl)methoxy]pyrrolidin-2-yl]methanol
CID 155558450
2-cyclopentyloxy-6-[[(2R,4S)-4-phenylmethoxypyrrolidin-2-yl]methoxy]benzoic acid;hydrochloride
CID 169246002
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
5-phenylmethoxypiperidine-2-carboxylic acid
CID 83646959
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine?
The IUPAC name of (2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine (CID 71204325) is (2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine.
What is the SMILES notation for (2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine?
The canonical SMILES for (2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine is CC[C@@H]1C[C@@H](OCc2ccccc2)CN1.
What is the InChIKey of (2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine?
The InChIKey is AAMIYIOGFPLCMK-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-12-8-13(9-14-12)15-10-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine?
(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine is sourced from PubChem (CID 71204325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).