1-methyl-2-(1-phenoxyethyl)pyrrolidine

C13H19NO — CID 122185341

IUPAC1-methyl-2-(1-phenoxyethyl)pyrrolidine
SMILESCC(Oc1ccccc1)C1CCCN1C
InChIInChI=1S/C13H19NO/c1-11(13-9-6-10-14(13)2)15-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3
InChIKeyUOPNAMLYCDNDDL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.55
Rot. Bonds3

About 1-methyl-2-(1-phenoxyethyl)pyrrolidine

1-methyl-2-(1-phenoxyethyl)pyrrolidine (PubChem CID 122185341) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-methyl-2-(1-phenoxyethyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(1-phenoxyethyl)pyrrolidine
PubChem CID122185341
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-methyl-2-(1-phenoxyethyl)pyrrolidine
SMILESCC(Oc1ccccc1)C1CCCN1C
InChIInChI=1S/C13H19NO/c1-11(13-9-6-10-14(13)2)15-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3
InChIKeyUOPNAMLYCDNDDL-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2-Dimethylaminoethoxy)benzene
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Pyrrolidine, 1-(2-(2-(o-methoxyphenoxy)ethoxy)ethyl)-
CID 120394
1-Phenoxy-3-pyrrolidin-1-yl-propan-2-ol
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Diethyl(2-phenoxyethyl)amine
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CID 536157
1-[Methyl(propan-2-yl)amino]-3-phenoxypropan-2-ol
CID 44307782
1-(3-Phenoxypropyl)pyrrolidine
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1-[5-(4-Fluorophenoxy)pentyl]pyrrolidine
CID 2248274

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-phenoxyethyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(1-phenoxyethyl)pyrrolidine (CID 122185341) is 1-methyl-2-(1-phenoxyethyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(1-phenoxyethyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(1-phenoxyethyl)pyrrolidine is CC(Oc1ccccc1)C1CCCN1C.
What is the InChIKey of 1-methyl-2-(1-phenoxyethyl)pyrrolidine?
The InChIKey is UOPNAMLYCDNDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(13-9-6-10-14(13)2)15-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3.
What are the key properties of 1-methyl-2-(1-phenoxyethyl)pyrrolidine?
1-methyl-2-(1-phenoxyethyl)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-phenoxyethyl)pyrrolidine is sourced from PubChem (CID 122185341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).