(2S)-1-methyl-2-(phenoxymethyl)pyrrolidine

C12H17NO — CID 22857691

IUPAC(2S)-1-methyl-2-(phenoxymethyl)pyrrolidine
SMILESCN1CCC[C@H]1COc1ccccc1
InChIInChI=1S/C12H17NO/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/t11-/m0/s1
InChIKeyGXHUWYAGVDTPAX-NSHDSACASA-N
MW191.27 g/mol
LogP2.16
Rot. Bonds3

About (2S)-1-methyl-2-(phenoxymethyl)pyrrolidine

(2S)-1-methyl-2-(phenoxymethyl)pyrrolidine (PubChem CID 22857691) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-1-methyl-2-(phenoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(phenoxymethyl)pyrrolidine
PubChem CID22857691
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-1-methyl-2-(phenoxymethyl)pyrrolidine
SMILESCN1CCC[C@H]1COc1ccccc1
InChIInChI=1S/C12H17NO/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/t11-/m0/s1
InChIKeyGXHUWYAGVDTPAX-NSHDSACASA-N
XLogP2.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(phenoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-(phenoxymethyl)pyrrolidine (CID 22857691) is (2S)-1-methyl-2-(phenoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-(phenoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-(phenoxymethyl)pyrrolidine is CN1CCC[C@H]1COc1ccccc1.
What is the InChIKey of (2S)-1-methyl-2-(phenoxymethyl)pyrrolidine?
The InChIKey is GXHUWYAGVDTPAX-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(phenoxymethyl)pyrrolidine?
(2S)-1-methyl-2-(phenoxymethyl)pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(phenoxymethyl)pyrrolidine is sourced from PubChem (CID 22857691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).