(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine

C14H21NO2 — CID 94709986

IUPAC(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
SMILESCCN1CCC[C@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO2/c1-4-15-9-5-6-13(15)12-8-7-11(16-2)10-14(12)17-3/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m0/s1
InChIKeyKYEJFWGGZLUSEC-ZDUSSCGKSA-N
MW235.33 g/mol
LogP2.86
Rot. Bonds4

About (2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine

(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine (PubChem CID 94709986) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
PubChem CID94709986
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
SMILESCCN1CCC[C@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO2/c1-4-15-9-5-6-13(15)12-8-7-11(16-2)10-14(12)17-3/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m0/s1
InChIKeyKYEJFWGGZLUSEC-ZDUSSCGKSA-N
XLogP2.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 124886513
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
ethyl 4-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 46613529
2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 124721396
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 98701473
2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 51260690
4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butane-1-sulfonic acid
CID 8834922
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
3-tert-butyl-5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51934667

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine?
The IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine (CID 94709986) is (2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine.
What is the SMILES notation for (2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine?
The canonical SMILES for (2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine is CCN1CCC[C@H]1c1ccc(OC)cc1OC.
What is the InChIKey of (2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine?
The InChIKey is KYEJFWGGZLUSEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15-9-5-6-13(15)12-8-7-11(16-2)10-14(12)17-3/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine?
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine is sourced from PubChem (CID 94709986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).