(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine

C14H21NO2 — CID 11715624

IUPAC(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
SMILESCOC(OC)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-16-14(17-2)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyWGCYCGIJMKWOCX-ZDUSSCGKSA-N
MW235.33 g/mol
LogP2.27
Rot. Bonds5

About (2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine

(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine (PubChem CID 11715624) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
PubChem CID11715624
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
SMILESCOC(OC)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-16-14(17-2)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyWGCYCGIJMKWOCX-ZDUSSCGKSA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[(2S)-1-benzylpyrrolidin-2-yl]-2-phenylethanethiol
CID 101430325
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
2-(1-benzylpiperidin-2-yl)propan-1-amine
CID 82390227
tert-butyl (3R)-3-(1-benzylpyrrolidin-2-yl)-3-methoxypropanoate
CID 69487923
1-benzyl-2-methoxypiperidin-3-ol
CID 70527191
2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine
CID 82378997
1-benzyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine;ethane
CID 123575402
1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride
CID 172758906
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
1,4-dibenzyl-5-(diethoxymethyl)-1,4-diazepane
CID 154685699
2-amino-2-(1-benzylpiperidin-2-yl)ethanol
CID 83982295

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine (CID 11715624) is (2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine is COC(OC)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine?
The InChIKey is WGCYCGIJMKWOCX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-14(17-2)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine?
(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine is sourced from PubChem (CID 11715624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).