2-[4-(dimethoxymethyl)phenyl]pyrrolidine

C13H19NO2 — CID 84788037

IUPAC2-[4-(dimethoxymethyl)phenyl]pyrrolidine
SMILESCOC(OC)c1ccc(C2CCCN2)cc1
InChIInChI=1S/C13H19NO2/c1-15-13(16-2)11-7-5-10(6-8-11)12-4-3-9-14-12/h5-8,12-14H,3-4,9H2,1-2H3
InChIKeyQHFPYTFTEWTKQX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.40
Rot. Bonds4

About 2-[4-(dimethoxymethyl)phenyl]pyrrolidine

2-[4-(dimethoxymethyl)phenyl]pyrrolidine (PubChem CID 84788037) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[4-(dimethoxymethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[4-(dimethoxymethyl)phenyl]pyrrolidine
PubChem CID84788037
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[4-(dimethoxymethyl)phenyl]pyrrolidine
SMILESCOC(OC)c1ccc(C2CCCN2)cc1
InChIInChI=1S/C13H19NO2/c1-15-13(16-2)11-7-5-10(6-8-11)12-4-3-9-14-12/h5-8,12-14H,3-4,9H2,1-2H3
InChIKeyQHFPYTFTEWTKQX-UHFFFAOYSA-N
XLogP2.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
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

(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2-[4-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131626
2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine
CID 117116726
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
CID 117116766

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethoxymethyl)phenyl]pyrrolidine?
The IUPAC name of 2-[4-(dimethoxymethyl)phenyl]pyrrolidine (CID 84788037) is 2-[4-(dimethoxymethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[4-(dimethoxymethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[4-(dimethoxymethyl)phenyl]pyrrolidine is COC(OC)c1ccc(C2CCCN2)cc1.
What is the InChIKey of 2-[4-(dimethoxymethyl)phenyl]pyrrolidine?
The InChIKey is QHFPYTFTEWTKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13(16-2)11-7-5-10(6-8-11)12-4-3-9-14-12/h5-8,12-14H,3-4,9H2,1-2H3.
What are the key properties of 2-[4-(dimethoxymethyl)phenyl]pyrrolidine?
2-[4-(dimethoxymethyl)phenyl]pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethoxymethyl)phenyl]pyrrolidine is sourced from PubChem (CID 84788037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).