(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine

C14H21N — CID 10976568

IUPAC(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
SMILESC[C@@H]1CC[C@H](C)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C14H21N/c1-11-9-10-12(2)15(11)13(3)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3/t11-,12+,13-/m0/s1
InChIKeyDODJBTPCSNVPAD-XQQFMLRXSA-N
MW203.33 g/mol
LogP3.62
Rot. Bonds2

About (2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine

(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine (PubChem CID 10976568) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
PubChem CID10976568
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
SMILESC[C@@H]1CC[C@H](C)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C14H21N/c1-11-9-10-12(2)15(11)13(3)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3/t11-,12+,13-/m0/s1
InChIKeyDODJBTPCSNVPAD-XQQFMLRXSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
CID 59989968
6-[(1S)-1-phenylethyl]-6-azabicyclo[3.1.0]hexan-2-one
CID 101182448
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105792
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
CID 13198301
8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 70025328
(2S)-2-methyl-1-(1-phenylethyl)piperidin-4-one
CID 69069233
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
CID 104969310
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
CID 91030651

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine?
The IUPAC name of (2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine (CID 10976568) is (2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine?
The canonical SMILES for (2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine is C[C@@H]1CC[C@H](C)N1[C@@H](C)c1ccccc1.
What is the InChIKey of (2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine?
The InChIKey is DODJBTPCSNVPAD-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H21N/c1-11-9-10-12(2)15(11)13(3)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3/t11-,12+,13-/m0/s1.
What are the key properties of (2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine?
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine is sourced from PubChem (CID 10976568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).