(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine

C30H46N2O2 — CID 160513708

IUPAC(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1C(C)C.COC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C21H27NO.C9H19NO/c1-17(2)22-16-10-15-20(22)21(23-3,18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-8(2)10-6-4-5-9(10)7-11-3/h4-9,11-14,17,20H,10,15-16H2,1-3H3;8-9H,4-7H2,1-3H3/t20-;9-/m00/s1
InChIKeyQTJIAGIAVMAWPS-CJVLMWFXSA-N
MW466.71 g/mol
LogP5.95
Rot. Bonds8

About (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine

(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine (PubChem CID 160513708) has the molecular formula C30H46N2O2 and a molecular weight of 466.71 g/mol. Its IUPAC name is (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
PubChem CID160513708
Molecular FormulaC30H46N2O2
Molecular Weight466.71 g/mol
Exact Mass466.36
IUPAC Name(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1C(C)C.COC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C21H27NO.C9H19NO/c1-17(2)22-16-10-15-20(22)21(23-3,18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-8(2)10-6-4-5-9(10)7-11-3/h4-9,11-14,17,20H,10,15-16H2,1-3H3;8-9H,4-7H2,1-3H3/t20-;9-/m00/s1
InChIKeyQTJIAGIAVMAWPS-CJVLMWFXSA-N
XLogP5.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine (CID 160513708) is (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine is COC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1C(C)C.COC[C@@H]1CCCN1C(C)C.
What is the InChIKey of (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is QTJIAGIAVMAWPS-CJVLMWFXSA-N. The full InChI is InChI=1S/C21H27NO.C9H19NO/c1-17(2)22-16-10-15-20(22)21(23-3,18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-8(2)10-6-4-5-9(10)7-11-3/h4-9,11-14,17,20H,10,15-16H2,1-3H3;8-9H,4-7H2,1-3H3/t20-;9-/m00/s1.
What are the key properties of (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 466.71 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 160513708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).