(2R,4S)-2,4-dimethyl-4-phenylpyrrolidine

C12H17N — CID 102398914

IUPAC(2R,4S)-2,4-dimethyl-4-phenylpyrrolidine
SMILESC[C@@H]1C[C@@](C)(c2ccccc2)CN1
InChIInChI=1S/C12H17N/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKeyZLIWJQDBPNLMPD-ZYHUDNBSSA-N
MW175.28 g/mol
LogP2.33
Rot. Bonds1

About (2R,4S)-2,4-dimethyl-4-phenylpyrrolidine

(2R,4S)-2,4-dimethyl-4-phenylpyrrolidine (PubChem CID 102398914) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (2R,4S)-2,4-dimethyl-4-phenylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2,4-dimethyl-4-phenylpyrrolidine
PubChem CID102398914
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(2R,4S)-2,4-dimethyl-4-phenylpyrrolidine
SMILESC[C@@H]1C[C@@](C)(c2ccccc2)CN1
InChIInChI=1S/C12H17N/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKeyZLIWJQDBPNLMPD-ZYHUDNBSSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4-dimethyl-4-phenylpyrrolidine?
The IUPAC name of (2R,4S)-2,4-dimethyl-4-phenylpyrrolidine (CID 102398914) is (2R,4S)-2,4-dimethyl-4-phenylpyrrolidine.
What is the SMILES notation for (2R,4S)-2,4-dimethyl-4-phenylpyrrolidine?
The canonical SMILES for (2R,4S)-2,4-dimethyl-4-phenylpyrrolidine is C[C@@H]1C[C@@](C)(c2ccccc2)CN1.
What is the InChIKey of (2R,4S)-2,4-dimethyl-4-phenylpyrrolidine?
The InChIKey is ZLIWJQDBPNLMPD-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H17N/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (2R,4S)-2,4-dimethyl-4-phenylpyrrolidine?
(2R,4S)-2,4-dimethyl-4-phenylpyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-dimethyl-4-phenylpyrrolidine is sourced from PubChem (CID 102398914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).