(2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine

C25H27NOSe — CID 15385624

IUPAC(2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine
SMILESc1ccc(COC[C@@H]2CCCN2Cc2ccccc2[Se]c2ccccc2)cc1
InChIInChI=1S/C25H27NOSe/c1-3-10-21(11-4-1)19-27-20-23-13-9-17-26(23)18-22-12-7-8-16-25(22)28-24-14-5-2-6-15-24/h1-8,10-12,14-16,23H,9,13,17-20H2/t23-/m0/s1
InChIKeyRLLJVMYWFUIAEG-QHCPKHFHSA-N
MW436.46 g/mol
LogP3.52
Rot. Bonds8

About (2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine

(2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine (PubChem CID 15385624) has the molecular formula C25H27NOSe and a molecular weight of 436.46 g/mol. Its IUPAC name is (2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine
PubChem CID15385624
Molecular FormulaC25H27NOSe
Molecular Weight436.46 g/mol
Exact Mass437.13
IUPAC Name(2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine
SMILESc1ccc(COC[C@@H]2CCCN2Cc2ccccc2[Se]c2ccccc2)cc1
InChIInChI=1S/C25H27NOSe/c1-3-10-21(11-4-1)19-27-20-23-13-9-17-26(23)18-22-12-7-8-16-25(22)28-24-14-5-2-6-15-24/h1-8,10-12,14-16,23H,9,13,17-20H2/t23-/m0/s1
InChIKeyRLLJVMYWFUIAEG-QHCPKHFHSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-2-phenyl-1,3-oxazolidine
CID 98113
3-(2-Benzhydryloxy-ethyl)-8-benzyl-8-aza-bicyclo[3.2.1]octane
CID 44316424
3-(2-Benzhydryloxy-ethylidene)-8-benzyl-8-aza-bicyclo[3.2.1]octane
CID 44371851
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
1-Cyclohexyl-3-(diphenylmethoxy)pyrrolidine
CID 3025360
2-Phenyl-3-propan-2-yl-1,3-oxazolidine
CID 254611
Pyrrolidine, 1-benzyl-3-(diphenylmethoxy)-, perchlorate
CID 3025249
Dibenzylamino-acetic acid benzyl ester
CID 4683020
2,5-Diphenyl-3,4-dimethyloxazolidine
CID 73585
1-Benzyl-1-(2-phenylmethoxyethyl)piperidin-1-ium
CID 4085841
(1S,5R)-3-(2-benzhydryloxyethylidene)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 11223581
1-Benzyl-1-(2-phenylmethoxyethyl)piperidin-1-ium chloride
CID 45488228

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine?
The IUPAC name of (2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine (CID 15385624) is (2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine is c1ccc(COC[C@@H]2CCCN2Cc2ccccc2[Se]c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine?
The InChIKey is RLLJVMYWFUIAEG-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27NOSe/c1-3-10-21(11-4-1)19-27-20-23-13-9-17-26(23)18-22-12-7-8-16-25(22)28-24-14-5-2-6-15-24/h1-8,10-12,14-16,23H,9,13,17-20H2/t23-/m0/s1.
What are the key properties of (2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine?
(2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine has a molecular weight of 436.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenylmethoxymethyl)-1-[(2-phenylselanylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 15385624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).