1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine

C14H21NO — CID 23339324

IUPAC1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
SMILESCc1ccccc1OCCC1CCCN1C
InChIInChI=1S/C14H21NO/c1-12-6-3-4-8-14(12)16-11-9-13-7-5-10-15(13)2/h3-4,6,8,13H,5,7,9-11H2,1-2H3
InChIKeyYDCAXNFXIZDGJX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds4

About 1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine

1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine (PubChem CID 23339324) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
PubChem CID23339324
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
SMILESCc1ccccc1OCCC1CCCN1C
InChIInChI=1S/C14H21NO/c1-12-6-3-4-8-14(12)16-11-9-13-7-5-10-15(13)2/h3-4,6,8,13H,5,7,9-11H2,1-2H3
InChIKeyYDCAXNFXIZDGJX-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554
1,3-bis(2-methylphenoxy)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 58735144
2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 23339385
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
CID 124942694
2-[1-[2-(2-methylphenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690162
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine (CID 23339324) is 1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine is Cc1ccccc1OCCC1CCCN1C.
What is the InChIKey of 1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine?
The InChIKey is YDCAXNFXIZDGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-6-3-4-8-14(12)16-11-9-13-7-5-10-15(13)2/h3-4,6,8,13H,5,7,9-11H2,1-2H3.
What are the key properties of 1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine?
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 23339324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).