(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine

C14H21N — CID 101397684

IUPAC(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
SMILESCC(C)C[C@@H]1NCC[C@H]1c1ccccc1
InChIInChI=1S/C14H21N/c1-11(2)10-14-13(8-9-15-14)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyDKZLPNAFISALIE-KBPBESRZSA-N
MW203.33 g/mol
LogP3.18
Rot. Bonds3

About (2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine

(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine (PubChem CID 101397684) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine.

Molecular Properties

Compound Name(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
PubChem CID101397684
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
SMILESCC(C)C[C@@H]1NCC[C@H]1c1ccccc1
InChIInChI=1S/C14H21N/c1-11(2)10-14-13(8-9-15-14)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyDKZLPNAFISALIE-KBPBESRZSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
3-(4-chlorophenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763269
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457
2-ethyl-3-phenylpyrrolidine
CID 62354556
2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 62763612
3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763617
3-(2-methylpropyl)-2-phenylpyrrolidine
CID 62722562
2-(2-methylpropyl)-3-(4-propoxyphenyl)pyrrolidine
CID 55112134
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine
CID 62763290
4-[2-(2-methylpropyl)pyrrolidin-3-yl]isoquinoline
CID 104504841

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine?
The IUPAC name of (2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine (CID 101397684) is (2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine.
What is the SMILES notation for (2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine?
The canonical SMILES for (2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine is CC(C)C[C@@H]1NCC[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine?
The InChIKey is DKZLPNAFISALIE-KBPBESRZSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)10-14-13(8-9-15-14)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine?
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine is sourced from PubChem (CID 101397684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).