(2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine

C26H29NO — CID 6712808

IUPAC(2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine
SMILESCC(ON1[C@](C)(c2ccccc2)CC[C@@]1(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO/c1-21(22-13-7-4-8-14-22)28-27-25(2,23-15-9-5-10-16-23)19-20-26(27,3)24-17-11-6-12-18-24/h4-18,21H,19-20H2,1-3H3/t21?,25-,26-/m0/s1
InChIKeyINQXAJZMLNZJKF-RMFXBNNXSA-N
MW371.52 g/mol
LogP6.61
Rot. Bonds5

About (2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine

(2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine (PubChem CID 6712808) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine
PubChem CID6712808
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name(2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine
SMILESCC(ON1[C@](C)(c2ccccc2)CC[C@@]1(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO/c1-21(22-13-7-4-8-14-22)28-27-25(2,23-15-9-5-10-16-23)19-20-26(27,3)24-17-11-6-12-18-24/h4-18,21H,19-20H2,1-3H3/t21?,25-,26-/m0/s1
InChIKeyINQXAJZMLNZJKF-RMFXBNNXSA-N
XLogP6.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine?
The IUPAC name of (2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine (CID 6712808) is (2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine.
What is the SMILES notation for (2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine?
The canonical SMILES for (2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine is CC(ON1[C@](C)(c2ccccc2)CC[C@@]1(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine?
The InChIKey is INQXAJZMLNZJKF-RMFXBNNXSA-N. The full InChI is InChI=1S/C26H29NO/c1-21(22-13-7-4-8-14-22)28-27-25(2,23-15-9-5-10-16-23)19-20-26(27,3)24-17-11-6-12-18-24/h4-18,21H,19-20H2,1-3H3/t21?,25-,26-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine?
(2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine has a molecular weight of 371.52 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine is sourced from PubChem (CID 6712808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).