3-methoxy-2-(4-methylphenyl)pyrrolidine

C12H17NO — CID 105445330

IUPAC3-methoxy-2-(4-methylphenyl)pyrrolidine
SMILESCOC1CCNC1c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-9-3-5-10(6-4-9)12-11(14-2)7-8-13-12/h3-6,11-13H,7-8H2,1-2H3
InChIKeyWTKFZPJUKZPODC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds2

About 3-methoxy-2-(4-methylphenyl)pyrrolidine

3-methoxy-2-(4-methylphenyl)pyrrolidine (PubChem CID 105445330) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methoxy-2-(4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-methoxy-2-(4-methylphenyl)pyrrolidine
PubChem CID105445330
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-methoxy-2-(4-methylphenyl)pyrrolidine
SMILESCOC1CCNC1c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-9-3-5-10(6-4-9)12-11(14-2)7-8-13-12/h3-6,11-13H,7-8H2,1-2H3
InChIKeyWTKFZPJUKZPODC-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
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(2S,3S,4S)-2-(hydroxymethyl)-2-(4-methylphenyl)pyrrolidine-3,4-diol
CID 168289178
(2R,3R,4R)-2-(4-phenylphenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168293905
(2S,4S)-2-methyl-4-[(4-octylphenyl)methoxy]pyrrolidine;hydrochloride
CID 72704521
(3R,5R)-5-[(4-octylphenyl)methyl]pyrrolidin-3-ol
CID 145980599
3-Phenylmorpholine
CID 3613837
3-Phenylmorpholine--hydrogen chloride (1/1)
CID 17749820
(2R,3R,4S,5R)-2-((((1R)-2-hydroxy-1-phenylethyl)amino)methyl)-5-methylpyrrolidine-3,4-diol
CID 11963508
CID 72704519
CID 72704519
(2R,3R,4R)-2-(hydroxymethyl)-2-(4-methylphenyl)pyrrolidine-3,4-diol
CID 168270445
(2S,3S,4S)-2-(4-phenylphenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168270520

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-methylphenyl)pyrrolidine?
The IUPAC name of 3-methoxy-2-(4-methylphenyl)pyrrolidine (CID 105445330) is 3-methoxy-2-(4-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-methoxy-2-(4-methylphenyl)pyrrolidine?
The canonical SMILES for 3-methoxy-2-(4-methylphenyl)pyrrolidine is COC1CCNC1c1ccc(C)cc1.
What is the InChIKey of 3-methoxy-2-(4-methylphenyl)pyrrolidine?
The InChIKey is WTKFZPJUKZPODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-5-10(6-4-9)12-11(14-2)7-8-13-12/h3-6,11-13H,7-8H2,1-2H3.
What are the key properties of 3-methoxy-2-(4-methylphenyl)pyrrolidine?
3-methoxy-2-(4-methylphenyl)pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-methylphenyl)pyrrolidine is sourced from PubChem (CID 105445330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).