(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine

C14H21N — CID 58977345

IUPAC(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
SMILESCC[C@H]1CN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C14H21N/c1-3-14-11-15(9-12(14)2)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14+/m1/s1
InChIKeySLIZTSAPBMDWMO-OCCSQVGLSA-N
MW203.33 g/mol
LogP3.16
Rot. Bonds3

About (3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine

(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine (PubChem CID 58977345) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
PubChem CID58977345
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
SMILESCC[C@H]1CN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C14H21N/c1-3-14-11-15(9-12(14)2)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14+/m1/s1
InChIKeySLIZTSAPBMDWMO-OCCSQVGLSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine?
The IUPAC name of (3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine (CID 58977345) is (3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine.
What is the SMILES notation for (3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine?
The canonical SMILES for (3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine is CC[C@H]1CN(Cc2ccccc2)C[C@H]1C.
What is the InChIKey of (3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine?
The InChIKey is SLIZTSAPBMDWMO-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H21N/c1-3-14-11-15(9-12(14)2)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of (3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine?
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine is sourced from PubChem (CID 58977345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).