1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride

C14H23ClN2O2 — CID 119905906

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(CCOc2ccccc2OC)C1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-15-12-7-8-16(11-12)9-10-18-14-6-4-3-5-13(14)17-2;/h3-6,12,15H,7-11H2,1-2H3;1H
InChIKeyWHOZAOFYTBODIL-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.79
Rot. Bonds6

About 1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride

1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 119905906) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID119905906
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(CCOc2ccccc2OC)C1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-15-12-7-8-16(11-12)9-10-18-14-6-4-3-5-13(14)17-2;/h3-6,12,15H,7-11H2,1-2H3;1H
InChIKeyWHOZAOFYTBODIL-UHFFFAOYSA-N
XLogP1.79
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 106838307
4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine
CID 47053041
N-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidin-3-amine
CID 119918903
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
(3aS,6aR)-5-[2-(2-methoxyphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120663775
4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 82684444
3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124574968
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 119905906) is 1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride is CNC1CCN(CCOc2ccccc2OC)C1.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is WHOZAOFYTBODIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-15-12-7-8-16(11-12)9-10-18-14-6-4-3-5-13(14)17-2;/h3-6,12,15H,7-11H2,1-2H3;1H.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).