2-(phenoxymethyl)pyrrolidine;hydrochloride

C11H16ClNO — CID 67802747

IUPAC2-(phenoxymethyl)pyrrolidine;hydrochloride
SMILESCl.c1ccc(OCC2CCCN2)cc1
InChIInChI=1S/C11H15NO.ClH/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10;/h1-3,6-7,10,12H,4-5,8-9H2;1H
InChIKeyZQZPNGMXJUGQPP-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.24
Rot. Bonds3

About 2-(phenoxymethyl)pyrrolidine;hydrochloride

2-(phenoxymethyl)pyrrolidine;hydrochloride (PubChem CID 67802747) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(phenoxymethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(phenoxymethyl)pyrrolidine;hydrochloride
PubChem CID67802747
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(phenoxymethyl)pyrrolidine;hydrochloride
SMILESCl.c1ccc(OCC2CCCN2)cc1
InChIInChI=1S/C11H15NO.ClH/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10;/h1-3,6-7,10,12H,4-5,8-9H2;1H
InChIKeyZQZPNGMXJUGQPP-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
2-(2-phenoxyethoxymethyl)piperidine
CID 24692889
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
2-[[4-[phenyl(thiophen-2-yl)methyl]phenoxy]methyl]pyrrolidine;hydrochloride
CID 174553264
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
3-(piperidin-2-ylmethoxy)benzonitrile
CID 63297477
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 23582860

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(phenoxymethyl)pyrrolidine;hydrochloride (CID 67802747) is 2-(phenoxymethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(phenoxymethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(phenoxymethyl)pyrrolidine;hydrochloride is Cl.c1ccc(OCC2CCCN2)cc1.
What is the InChIKey of 2-(phenoxymethyl)pyrrolidine;hydrochloride?
The InChIKey is ZQZPNGMXJUGQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10;/h1-3,6-7,10,12H,4-5,8-9H2;1H.
What are the key properties of 2-(phenoxymethyl)pyrrolidine;hydrochloride?
2-(phenoxymethyl)pyrrolidine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 67802747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).