1-[4-(2-methylphenoxy)phenyl]pyrrolidine

C17H19NO — CID 168515858

IUPAC1-[4-(2-methylphenoxy)phenyl]pyrrolidine
SMILESCc1ccccc1Oc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H19NO/c1-14-6-2-3-7-17(14)19-16-10-8-15(9-11-16)18-12-4-5-13-18/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyIQWZBSWANRPFMY-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.39
Rot. Bonds3

About 1-[4-(2-methylphenoxy)phenyl]pyrrolidine

1-[4-(2-methylphenoxy)phenyl]pyrrolidine (PubChem CID 168515858) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[4-(2-methylphenoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(2-methylphenoxy)phenyl]pyrrolidine
PubChem CID168515858
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[4-(2-methylphenoxy)phenyl]pyrrolidine
SMILESCc1ccccc1Oc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H19NO/c1-14-6-2-3-7-17(14)19-16-10-8-15(9-11-16)18-12-4-5-13-18/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyIQWZBSWANRPFMY-UHFFFAOYSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-2-phenoxybenzene
CID 90950955
1-[4-(2-methylphenyl)phenyl]pyrrolidine
CID 168512930
1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine
CID 70159315
2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine
CID 168514926
1-(4-methoxyphenyl)piperidine
CID 10130315
4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
CID 168702567
1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696853
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene
CID 67084607
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1-(3-methyl-2-phenoxyphenyl)pyrrolidine
CID 168514130

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenoxy)phenyl]pyrrolidine?
The IUPAC name of 1-[4-(2-methylphenoxy)phenyl]pyrrolidine (CID 168515858) is 1-[4-(2-methylphenoxy)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(2-methylphenoxy)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-(2-methylphenoxy)phenyl]pyrrolidine is Cc1ccccc1Oc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-[4-(2-methylphenoxy)phenyl]pyrrolidine?
The InChIKey is IQWZBSWANRPFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14-6-2-3-7-17(14)19-16-10-8-15(9-11-16)18-12-4-5-13-18/h2-3,6-11H,4-5,12-13H2,1H3.
What are the key properties of 1-[4-(2-methylphenoxy)phenyl]pyrrolidine?
1-[4-(2-methylphenoxy)phenyl]pyrrolidine has a molecular weight of 253.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenoxy)phenyl]pyrrolidine is sourced from PubChem (CID 168515858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).