3,3-diethyl-2-phenylpyrrolidine

C14H21N — CID 62721295

IUPAC3,3-diethyl-2-phenylpyrrolidine
SMILESCCC1(CC)CCNC1c1ccccc1
InChIInChI=1S/C14H21N/c1-3-14(4-2)10-11-15-13(14)12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3
InChIKeyUUDKJNPMPUTWJD-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.53
Rot. Bonds3

About 3,3-diethyl-2-phenylpyrrolidine

3,3-diethyl-2-phenylpyrrolidine (PubChem CID 62721295) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3,3-diethyl-2-phenylpyrrolidine.

Molecular Properties

Compound Name3,3-diethyl-2-phenylpyrrolidine
PubChem CID62721295
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3,3-diethyl-2-phenylpyrrolidine
SMILESCCC1(CC)CCNC1c1ccccc1
InChIInChI=1S/C14H21N/c1-3-14(4-2)10-11-15-13(14)12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3
InChIKeyUUDKJNPMPUTWJD-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butan-2-yl-3-methyl-2-phenylpyrrolidine
CID 62722746
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
(3aR,4R,9bS)-3a-methyl-4-phenyl-1,2,3,4,5,9b-hexahydropyrrolo[3,2-c]quinoline;(3aS,4S,9bR)-3a-methyl-4-phenyl-1,2,3,4,5,9b-hexahydropyrrolo[3,2-c]quinoline;tetrahydrochloride
CID 162190975
4,6-diphenyl-7-azaspiro[4.5]decane
CID 139931601
ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane
CID 165136172
4-benzyl-3,4-diethylpiperidine
CID 79312303
4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471
2,3-diphenylpiperazine;hydrochloride
CID 175072756
3-(3-bromophenyl)-4,4-diethylpiperidine
CID 79433788
(2-ethyl-2-methylcyclobutyl)benzene
CID 173466674
2,2-diethyl-5-phenylimidazolidin-4-one
CID 54172527

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2-phenylpyrrolidine?
The IUPAC name of 3,3-diethyl-2-phenylpyrrolidine (CID 62721295) is 3,3-diethyl-2-phenylpyrrolidine.
What is the SMILES notation for 3,3-diethyl-2-phenylpyrrolidine?
The canonical SMILES for 3,3-diethyl-2-phenylpyrrolidine is CCC1(CC)CCNC1c1ccccc1.
What is the InChIKey of 3,3-diethyl-2-phenylpyrrolidine?
The InChIKey is UUDKJNPMPUTWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-14(4-2)10-11-15-13(14)12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3.
What are the key properties of 3,3-diethyl-2-phenylpyrrolidine?
3,3-diethyl-2-phenylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2-phenylpyrrolidine is sourced from PubChem (CID 62721295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).