1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride

C14H21Cl3N2O — CID 119928392

IUPAC1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN1CCOc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-17-10-11-4-3-7-18(11)8-9-19-14-12(15)5-2-6-13(14)16;/h2,5-6,11,17H,3-4,7-10H2,1H3;1H
InChIKeyMEURHVYQNYXGNW-UHFFFAOYSA-N
MW339.69 g/mol
LogP3.48
Rot. Bonds6

About 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride

1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119928392) has the molecular formula C14H21Cl3N2O and a molecular weight of 339.69 g/mol. Its IUPAC name is 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID119928392
Molecular FormulaC14H21Cl3N2O
Molecular Weight339.69 g/mol
Exact Mass338.07
IUPAC Name1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN1CCOc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-17-10-11-4-3-7-18(11)8-9-19-14-12(15)5-2-6-13(14)16;/h2,5-6,11,17H,3-4,7-10H2,1H3;1H
InChIKeyMEURHVYQNYXGNW-UHFFFAOYSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490255
1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61203648
1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986156
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 63250259
N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928402
2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 55411660
1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842701
N-methyl-1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 119928529
N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911151
1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490979

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride (CID 119928392) is 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride is CNCC1CCCN1CCOc1c(Cl)cccc1Cl.Cl.
What is the InChIKey of 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is MEURHVYQNYXGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O.ClH/c1-17-10-11-4-3-7-18(11)8-9-19-14-12(15)5-2-6-13(14)16;/h2,5-6,11,17H,3-4,7-10H2,1H3;1H.
What are the key properties of 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119928392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).