(2S)-2-[methoxy(diphenyl)methyl]pyrrolidine

C18H21NO — CID 11694649

IUPAC(2S)-2-[methoxy(diphenyl)methyl]pyrrolidine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C18H21NO/c1-20-18(17-13-8-14-19-17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,19H,8,13-14H2,1H3/t17-/m0/s1
InChIKeyCGUGCZSRPDCLBT-KRWDZBQOSA-N
MW267.37 g/mol
LogP3.33
Rot. Bonds4

About (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine

(2S)-2-[methoxy(diphenyl)methyl]pyrrolidine (PubChem CID 11694649) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[methoxy(diphenyl)methyl]pyrrolidine
PubChem CID11694649
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2S)-2-[methoxy(diphenyl)methyl]pyrrolidine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C18H21NO/c1-20-18(17-13-8-14-19-17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,19H,8,13-14H2,1H3/t17-/m0/s1
InChIKeyCGUGCZSRPDCLBT-KRWDZBQOSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine?
The IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine (CID 11694649) is (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine is COC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine?
The InChIKey is CGUGCZSRPDCLBT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-18(17-13-8-14-19-17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,19H,8,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine?
(2S)-2-[methoxy(diphenyl)methyl]pyrrolidine has a molecular weight of 267.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine is sourced from PubChem (CID 11694649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).