(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine

C13H19NO — CID 95366455

IUPAC(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
SMILESCOc1cccc([C@H](C)[C@@H]2CCNC2)c1
InChIInChI=1S/C13H19NO/c1-10(12-6-7-14-9-12)11-4-3-5-13(8-11)15-2/h3-5,8,10,12,14H,6-7,9H2,1-2H3/t10-,12+/m0/s1
InChIKeyFEWXZMIVEAKPBV-CMPLNLGQSA-N
MW205.30 g/mol
LogP2.41
Rot. Bonds3

About (3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine

(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine (PubChem CID 95366455) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
PubChem CID95366455
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
SMILESCOc1cccc([C@H](C)[C@@H]2CCNC2)c1
InChIInChI=1S/C13H19NO/c1-10(12-6-7-14-9-12)11-4-3-5-13(8-11)15-2/h3-5,8,10,12,14H,6-7,9H2,1-2H3/t10-,12+/m0/s1
InChIKeyFEWXZMIVEAKPBV-CMPLNLGQSA-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

3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 105477836
3-[fluoro-(3-methoxyphenyl)methyl]piperidine
CID 84725285
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845
3-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023129
2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol
CID 83910561
2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
3-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493506
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine (CID 95366455) is (3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine is COc1cccc([C@H](C)[C@@H]2CCNC2)c1.
What is the InChIKey of (3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine?
The InChIKey is FEWXZMIVEAKPBV-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(12-6-7-14-9-12)11-4-3-5-13(8-11)15-2/h3-5,8,10,12,14H,6-7,9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine?
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]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)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 95366455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).