(3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine

C18H21N — CID 131847538

IUPAC(3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine
SMILESCC1(C)NC[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N/c1-18(2)17(15-11-7-4-8-12-15)16(13-19-18)14-9-5-3-6-10-14/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1
InChIKeyPAQZXYYTPJFOEM-IRXDYDNUSA-N
MW251.37 g/mol
LogP3.94
Rot. Bonds2

About (3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine

(3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine (PubChem CID 131847538) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine.

Molecular Properties

Compound Name(3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine
PubChem CID131847538
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine
SMILESCC1(C)NC[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N/c1-18(2)17(15-11-7-4-8-12-15)16(13-19-18)14-9-5-3-6-10-14/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1
InChIKeyPAQZXYYTPJFOEM-IRXDYDNUSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-2,2-dimethyl-3-phenylpyrrolidine
CID 94411574
[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene
CID 124794227
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
[(1S,3R)-2,2-dibromo-3-propan-2-ylcyclopropyl]benzene
CID 23273168
(2-chloro-2,3-dimethylcyclopropyl)benzene
CID 589290
(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine
CID 11137917
(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
CID 162341594
ethane;(2S)-2-phenylaziridine
CID 145185749
(3R,4S)-N-methyl-3-phenylpiperidin-4-amine
CID 91006555
(3S,4R)-3-ethyl-4-phenylpyrrolidine
CID 124705552

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine?
The IUPAC name of (3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine (CID 131847538) is (3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine.
What is the SMILES notation for (3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine?
The canonical SMILES for (3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine is CC1(C)NC[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine?
The InChIKey is PAQZXYYTPJFOEM-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H21N/c1-18(2)17(15-11-7-4-8-12-15)16(13-19-18)14-9-5-3-6-10-14/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine?
(3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine is sourced from PubChem (CID 131847538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).