(2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine

C13H19NO2 — CID 11096168

IUPAC(2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine
SMILESCOc1ccccc1OC[C@@H]1CCCN1C
InChIInChI=1S/C13H19NO2/c1-14-9-5-6-11(14)10-16-13-8-4-3-7-12(13)15-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyHUISIAJPYRRIIK-NSHDSACASA-N
MW221.30 g/mol
LogP2.17
Rot. Bonds4

About (2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine

(2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine (PubChem CID 11096168) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine
PubChem CID11096168
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine
SMILESCOc1ccccc1OC[C@@H]1CCCN1C
InChIInChI=1S/C13H19NO2/c1-14-9-5-6-11(14)10-16-13-8-4-3-7-12(13)15-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyHUISIAJPYRRIIK-NSHDSACASA-N
XLogP2.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine?
The IUPAC name of (2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine (CID 11096168) is (2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine is COc1ccccc1OC[C@@H]1CCCN1C.
What is the InChIKey of (2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine?
The InChIKey is HUISIAJPYRRIIK-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-9-5-6-11(14)10-16-13-8-4-3-7-12(13)15-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine?
(2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxyphenoxy)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 11096168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).