3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride

C12H18ClNO2 — CID 56830113

IUPAC3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
SMILESCOc1ccccc1OCC1CCNC1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-11-4-2-3-5-12(11)15-9-10-6-7-13-8-10;/h2-5,10,13H,6-9H2,1H3;1H
InChIKeyYPIGKEFNRFVMMR-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.11
Rot. Bonds4

About 3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride

3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride (PubChem CID 56830113) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
PubChem CID56830113
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
SMILESCOc1ccccc1OCC1CCNC1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-11-4-2-3-5-12(11)15-9-10-6-7-13-8-10;/h2-5,10,13H,6-9H2,1H3;1H
InChIKeyYPIGKEFNRFVMMR-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
3-[(2-propoxyphenoxy)methyl]pyrrolidine
CID 55064564
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
CID 86321614
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
CID 115042137
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrrolidine
CID 79403216
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56829770
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride?
The IUPAC name of 3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride (CID 56830113) is 3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride is COc1ccccc1OCC1CCNC1.Cl.
What is the InChIKey of 3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride?
The InChIKey is YPIGKEFNRFVMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-14-11-4-2-3-5-12(11)15-9-10-6-7-13-8-10;/h2-5,10,13H,6-9H2,1H3;1H.
What are the key properties of 3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride?
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 56830113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).