(2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine

C15H23N — CID 131847537

IUPAC(2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine
SMILESCN1C[C@@H](c2ccccc2)C[C@H]1C(C)(C)C
InChIInChI=1S/C15H23N/c1-15(2,3)14-10-13(11-16(14)4)12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyYTUQCVVVEXPZLY-KBPBESRZSA-N
MW217.36 g/mol
LogP3.52
Rot. Bonds1

About (2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine

(2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine (PubChem CID 131847537) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine
PubChem CID131847537
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine
SMILESCN1C[C@@H](c2ccccc2)C[C@H]1C(C)(C)C
InChIInChI=1S/C15H23N/c1-15(2,3)14-10-13(11-16(14)4)12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyYTUQCVVVEXPZLY-KBPBESRZSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-phenyl-2-propan-2-ylpyrrolidine
CID 158471478
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CID 166738745
(3R,5S)-1,3-dimethyl-5-phenylpiperidine
CID 134927538
1-tert-butyl-5-phenylpiperidin-3-amine
CID 67209278
(3S,5S)-3-methoxy-1-methyl-5-phenylpiperidine
CID 70561822
1,2-dimethyl-4-(3-methylphenyl)pyrrolidine
CID 170012396
1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane
CID 101109605
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol
CID 104549809
[(2S)-1-methylaziridin-2-yl]-diphenylmethanol
CID 101268186
1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-5-phenylpiperidin-3-amine
CID 83995503
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine?
The IUPAC name of (2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine (CID 131847537) is (2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine.
What is the SMILES notation for (2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine?
The canonical SMILES for (2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine is CN1C[C@@H](c2ccccc2)C[C@H]1C(C)(C)C.
What is the InChIKey of (2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine?
The InChIKey is YTUQCVVVEXPZLY-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)14-10-13(11-16(14)4)12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine?
(2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-tert-butyl-1-methyl-4-phenylpyrrolidine is sourced from PubChem (CID 131847537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).