3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine

C14H21NO2 — CID 145385406

IUPAC3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine
SMILESCOc1ccc(C)cc1OCC1CCN(C)C1
InChIInChI=1S/C14H21NO2/c1-11-4-5-13(16-3)14(8-11)17-10-12-6-7-15(2)9-12/h4-5,8,12H,6-7,9-10H2,1-3H3
InChIKeyAIJBLQKGTQGLBL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.33
Rot. Bonds4

About 3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine

3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine (PubChem CID 145385406) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine
PubChem CID145385406
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine
SMILESCOc1ccc(C)cc1OCC1CCN(C)C1
InChIInChI=1S/C14H21NO2/c1-11-4-5-13(16-3)14(8-11)17-10-12-6-7-15(2)9-12/h4-5,8,12H,6-7,9-10H2,1-3H3
InChIKeyAIJBLQKGTQGLBL-UHFFFAOYSA-N
XLogP2.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline
CID 57021873
3-methoxy-4-[(1-methylpyrrolidin-3-yl)methoxy]benzaldehyde
CID 117052352
4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine
CID 58748493
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene
CID 158580176
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide
CID 167447350
4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine
CID 59815628
3-[(2-tert-butylphenoxy)methyl]-1-methylpyrrolidine
CID 143793227
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
2-amino-5-methoxy-4-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
CID 22349664
[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
CID 43560577

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine?
The IUPAC name of 3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine (CID 145385406) is 3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine?
The canonical SMILES for 3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine is COc1ccc(C)cc1OCC1CCN(C)C1.
What is the InChIKey of 3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine?
The InChIKey is AIJBLQKGTQGLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-5-13(16-3)14(8-11)17-10-12-6-7-15(2)9-12/h4-5,8,12H,6-7,9-10H2,1-3H3.
What are the key properties of 3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine?
3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 145385406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).