2-(2-ethylphenyl)-3-phenylpyrrolidine

C18H21N — CID 64689479

IUPAC2-(2-ethylphenyl)-3-phenylpyrrolidine
SMILESCCc1ccccc1C1NCCC1c1ccccc1
InChIInChI=1S/C18H21N/c1-2-14-8-6-7-11-16(14)18-17(12-13-19-18)15-9-4-3-5-10-15/h3-11,17-19H,2,12-13H2,1H3
InChIKeyKFQKPAVAJGIABD-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.07
Rot. Bonds3

About 2-(2-ethylphenyl)-3-phenylpyrrolidine

2-(2-ethylphenyl)-3-phenylpyrrolidine (PubChem CID 64689479) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-3-phenylpyrrolidine.

Molecular Properties

Compound Name2-(2-ethylphenyl)-3-phenylpyrrolidine
PubChem CID64689479
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-(2-ethylphenyl)-3-phenylpyrrolidine
SMILESCCc1ccccc1C1NCCC1c1ccccc1
InChIInChI=1S/C18H21N/c1-2-14-8-6-7-11-16(14)18-17(12-13-19-18)15-9-4-3-5-10-15/h3-11,17-19H,2,12-13H2,1H3
InChIKeyKFQKPAVAJGIABD-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-phenylpyrrolidine
CID 62354556
4-(2-ethylphenyl)-3-(4-methylphenyl)piperidine
CID 79432342
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
2-(3,4-dimethylphenyl)-3-phenylpyrrolidine
CID 64689458
3-ethyl-4-(2-ethylphenyl)piperidine
CID 79310603
(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397684
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine
CID 101397690
3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine
CID 79431218
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-3-phenylpyrrolidine?
The IUPAC name of 2-(2-ethylphenyl)-3-phenylpyrrolidine (CID 64689479) is 2-(2-ethylphenyl)-3-phenylpyrrolidine.
What is the SMILES notation for 2-(2-ethylphenyl)-3-phenylpyrrolidine?
The canonical SMILES for 2-(2-ethylphenyl)-3-phenylpyrrolidine is CCc1ccccc1C1NCCC1c1ccccc1.
What is the InChIKey of 2-(2-ethylphenyl)-3-phenylpyrrolidine?
The InChIKey is KFQKPAVAJGIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-14-8-6-7-11-16(14)18-17(12-13-19-18)15-9-4-3-5-10-15/h3-11,17-19H,2,12-13H2,1H3.
What are the key properties of 2-(2-ethylphenyl)-3-phenylpyrrolidine?
2-(2-ethylphenyl)-3-phenylpyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-3-phenylpyrrolidine is sourced from PubChem (CID 64689479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).