2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine

C15H23ClN2O2 — CID 104816358

IUPAC2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CCN(C(CN)c2c(Cl)cccc2OC)C1
InChIInChI=1S/C15H23ClN2O2/c1-19-10-11-6-7-18(9-11)13(8-17)15-12(16)4-3-5-14(15)20-2/h3-5,11,13H,6-10,17H2,1-2H3
InChIKeyXWWCQPGKDLCCPT-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.32
Rot. Bonds6

About 2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine

2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 104816358) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
PubChem CID104816358
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CCN(C(CN)c2c(Cl)cccc2OC)C1
InChIInChI=1S/C15H23ClN2O2/c1-19-10-11-6-7-18(9-11)13(8-17)15-12(16)4-3-5-14(15)20-2/h3-5,11,13H,6-10,17H2,1-2H3
InChIKeyXWWCQPGKDLCCPT-UHFFFAOYSA-N
XLogP2.32
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 104816433
2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 104816353
2-(2,3-dichlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63971708
1-[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 104816411
2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 104816304
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
CID 112624382
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine
CID 64568893
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanamine
CID 64570685
2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64568698
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine (CID 104816358) is 2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine is COCC1CCN(C(CN)c2c(Cl)cccc2OC)C1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is XWWCQPGKDLCCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-19-10-11-6-7-18(9-11)13(8-17)15-12(16)4-3-5-14(15)20-2/h3-5,11,13H,6-10,17H2,1-2H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 298.81 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 104816358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).