(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine

C13H19N — CID 124508929

IUPAC(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1NCC[C@@H]1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKeySSSKJUZHKJLCDA-OLZOCXBDSA-N
MW189.30 g/mol
LogP2.79
Rot. Bonds2

About (2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine

(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine (PubChem CID 124508929) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
PubChem CID124508929
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1NCC[C@@H]1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKeySSSKJUZHKJLCDA-OLZOCXBDSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457
(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397684
3-(4-bromophenyl)-2-propan-2-ylpyrrolidine
CID 82379536
2-ethyl-3-phenylpyrrolidine
CID 62354556
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
2-methyl-1-[(2S,3R)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59054861
2-methyl-1-[(2S,3S)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59969688
2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine
CID 62718142
methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate
CID 173061877
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine (CID 124508929) is (2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine is CC(C)[C@@H]1NCC[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine?
The InChIKey is SSSKJUZHKJLCDA-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine?
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 124508929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).