1-ethyl-3-methyl-4-phenylpyrrolidine

C13H19N — CID 130451678

IUPAC1-ethyl-3-methyl-4-phenylpyrrolidine
SMILESCCN1CC(C)C(c2ccccc2)C1
InChIInChI=1S/C13H19N/c1-3-14-9-11(2)13(10-14)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyYPXUDQYASSMEBY-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.74
Rot. Bonds2

About 1-ethyl-3-methyl-4-phenylpyrrolidine

1-ethyl-3-methyl-4-phenylpyrrolidine (PubChem CID 130451678) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-phenylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-phenylpyrrolidine
PubChem CID130451678
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-ethyl-3-methyl-4-phenylpyrrolidine
SMILESCCN1CC(C)C(c2ccccc2)C1
InChIInChI=1S/C13H19N/c1-3-14-9-11(2)13(10-14)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyYPXUDQYASSMEBY-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane
CID 70451157
1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
CID 145118724
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
(2S,3S,4S)-1-ethyl-2-methyl-3,4-diphenylpyrrolidine
CID 134924303
(3S,4R)-1-(2-ethoxyethyl)-3-methyl-5-phenylpiperidin-4-amine;dihydrochloride
CID 3079968
(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine
CID 129373468
benzene;1-ethyl-3-methylazetidine
CID 178088401
(2R,3R)-1-ethyl-2,3-diphenylazetidine
CID 100941432
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride
CID 119923167

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-phenylpyrrolidine?
The IUPAC name of 1-ethyl-3-methyl-4-phenylpyrrolidine (CID 130451678) is 1-ethyl-3-methyl-4-phenylpyrrolidine.
What is the SMILES notation for 1-ethyl-3-methyl-4-phenylpyrrolidine?
The canonical SMILES for 1-ethyl-3-methyl-4-phenylpyrrolidine is CCN1CC(C)C(c2ccccc2)C1.
What is the InChIKey of 1-ethyl-3-methyl-4-phenylpyrrolidine?
The InChIKey is YPXUDQYASSMEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-14-9-11(2)13(10-14)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-4-phenylpyrrolidine?
1-ethyl-3-methyl-4-phenylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-phenylpyrrolidine is sourced from PubChem (CID 130451678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).