2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine

C18H21NO2 — CID 54238454

IUPAC2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
SMILESCOc1ccc(Oc2ccc(C3CCCN3C)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-19-13-3-4-18(19)14-5-7-16(8-6-14)21-17-11-9-15(20-2)10-12-17/h5-12,18H,3-4,13H2,1-2H3
InChIKeyQOGHOTAGGKVPPW-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.25
Rot. Bonds4

About 2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine

2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine (PubChem CID 54238454) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
PubChem CID54238454
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
SMILESCOc1ccc(Oc2ccc(C3CCCN3C)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-19-13-3-4-18(19)14-5-7-16(8-6-14)21-17-11-9-15(20-2)10-12-17/h5-12,18H,3-4,13H2,1-2H3
InChIKeyQOGHOTAGGKVPPW-UHFFFAOYSA-N
XLogP4.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
2-(4-butoxyphenyl)-1-methylpyrrolidine;methane
CID 159295840
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
(2R)-1-methyl-2-(4-propan-2-ylphenyl)pyrrolidine
CID 134254909
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine?
The IUPAC name of 2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine (CID 54238454) is 2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine is COc1ccc(Oc2ccc(C3CCCN3C)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine?
The InChIKey is QOGHOTAGGKVPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-13-3-4-18(19)14-5-7-16(8-6-14)21-17-11-9-15(20-2)10-12-17/h5-12,18H,3-4,13H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine?
2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine has a molecular weight of 283.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine is sourced from PubChem (CID 54238454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).