2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride

C18H22ClNO2 — CID 69002051

IUPAC2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
SMILESCc1ccc(Oc2ccc(OCC3CCCN3)cc2)cc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-14-4-6-17(7-5-14)21-18-10-8-16(9-11-18)20-13-15-3-2-12-19-15;/h4-11,15,19H,2-3,12-13H2,1H3;1H
InChIKeyGTZKQCYLDNPKQF-UHFFFAOYSA-N
MW319.83 g/mol
LogP4.34
Rot. Bonds5

About 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride

2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride (PubChem CID 69002051) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
PubChem CID69002051
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
SMILESCc1ccc(Oc2ccc(OCC3CCCN3)cc2)cc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-14-4-6-17(7-5-14)21-18-10-8-16(9-11-18)20-13-15-3-2-12-19-15;/h4-11,15,19H,2-3,12-13H2,1H3;1H
InChIKeyGTZKQCYLDNPKQF-UHFFFAOYSA-N
XLogP4.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
CID 68998757
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride
CID 141172529
6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole
CID 143435407
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
CID 176600541
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride?
The IUPAC name of 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride (CID 69002051) is 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride is Cc1ccc(Oc2ccc(OCC3CCCN3)cc2)cc1.Cl.
What is the InChIKey of 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride?
The InChIKey is GTZKQCYLDNPKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-14-4-6-17(7-5-14)21-18-10-8-16(9-11-18)20-13-15-3-2-12-19-15;/h4-11,15,19H,2-3,12-13H2,1H3;1H.
What are the key properties of 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride?
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 69002051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).