(3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine

C15H23N — CID 145294189

IUPAC(3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine
SMILESCCc1cccc(CN2C[C@@H](C)[C@@H](C)C2)c1
InChIInChI=1S/C15H23N/c1-4-14-6-5-7-15(8-14)11-16-9-12(2)13(3)10-16/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13+
InChIKeyCYVWAISVNMJDDG-BETUJISGSA-N
MW217.36 g/mol
LogP3.34
Rot. Bonds3

About (3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine

(3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine (PubChem CID 145294189) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine
PubChem CID145294189
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine
SMILESCCc1cccc(CN2C[C@@H](C)[C@@H](C)C2)c1
InChIInChI=1S/C15H23N/c1-4-14-6-5-7-15(8-14)11-16-9-12(2)13(3)10-16/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13+
InChIKeyCYVWAISVNMJDDG-BETUJISGSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine?
The IUPAC name of (3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine (CID 145294189) is (3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine.
What is the SMILES notation for (3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine?
The canonical SMILES for (3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine is CCc1cccc(CN2C[C@@H](C)[C@@H](C)C2)c1.
What is the InChIKey of (3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine?
The InChIKey is CYVWAISVNMJDDG-BETUJISGSA-N. The full InChI is InChI=1S/C15H23N/c1-4-14-6-5-7-15(8-14)11-16-9-12(2)13(3)10-16/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13+.
What are the key properties of (3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine?
(3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine is sourced from PubChem (CID 145294189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).