(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine

C13H19NO — CID 124705549

IUPAC(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine
SMILESCC[C@@H]1CNC[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-3-10-8-14-9-13(10)11-4-6-12(15-2)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-,13+/m1/s1
InChIKeyQOHJMMANTRSXCD-MFKMUULPSA-N
MW205.30 g/mol
LogP2.41
Rot. Bonds3

About (3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine

(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine (PubChem CID 124705549) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine
PubChem CID124705549
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine
SMILESCC[C@@H]1CNC[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-3-10-8-14-9-13(10)11-4-6-12(15-2)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-,13+/m1/s1
InChIKeyQOHJMMANTRSXCD-MFKMUULPSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-(4-chlorophenyl)-4-ethylpyrrolidine
CID 125453406
(3R,4S)-3-ethyl-4-phenylpyrrolidine
CID 124705784
(3S,4R)-3-ethyl-4-phenylpyrrolidine
CID 124705552
(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine
CID 58606780
1-[[(3R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 143833939
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride
CID 175906067
(3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 129359671
(3S,4R)-3-(3-chlorophenyl)-4-ethylpyrrolidine
CID 125451676
N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825230
(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine
CID 124562401
2-ethyl-3-(4-methoxyphenyl)cyclobutan-1-ol
CID 81416193

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine?
The IUPAC name of (3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine (CID 124705549) is (3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine?
The canonical SMILES for (3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine is CC[C@@H]1CNC[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine?
The InChIKey is QOHJMMANTRSXCD-MFKMUULPSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-10-8-14-9-13(10)11-4-6-12(15-2)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of (3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine?
(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 124705549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).