(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine

C13H19NO — CID 95154091

IUPAC(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
SMILESCCN1CCC[C@H]1c1cccc(OC)c1
InChIInChI=1S/C13H19NO/c1-3-14-9-5-8-13(14)11-6-4-7-12(10-11)15-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3/t13-/m0/s1
InChIKeyNVKKYTLMNCEFSE-ZDUSSCGKSA-N
MW205.30 g/mol
LogP2.85
Rot. Bonds3

About (2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine

(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine (PubChem CID 95154091) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
PubChem CID95154091
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
SMILESCCN1CCC[C@H]1c1cccc(OC)c1
InChIInChI=1S/C13H19NO/c1-3-14-9-5-8-13(14)11-6-4-7-12(10-11)15-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3/t13-/m0/s1
InChIKeyNVKKYTLMNCEFSE-ZDUSSCGKSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
4-ethyl-3-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-triazole
CID 97211558
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78834159

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of (2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine (CID 95154091) is (2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for (2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine is CCN1CCC[C@H]1c1cccc(OC)c1.
What is the InChIKey of (2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine?
The InChIKey is NVKKYTLMNCEFSE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14-9-5-8-13(14)11-6-4-7-12(10-11)15-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine?
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 95154091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).