1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine

C15H23ClN2O — CID 104818684

IUPAC1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCN1CCC(CNC)C1c1c(Cl)cccc1OC
InChIInChI=1S/C15H23ClN2O/c1-4-18-9-8-11(10-17-2)15(18)14-12(16)6-5-7-13(14)19-3/h5-7,11,15,17H,4,8-10H2,1-3H3
InChIKeyFCQLTIBEBGMUIT-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.95
Rot. Bonds5

About 1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine

1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 104818684) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID104818684
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCN1CCC(CNC)C1c1c(Cl)cccc1OC
InChIInChI=1S/C15H23ClN2O/c1-4-18-9-8-11(10-17-2)15(18)14-12(16)6-5-7-13(14)19-3/h5-7,11,15,17H,4,8-10H2,1-3H3
InChIKeyFCQLTIBEBGMUIT-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818691
1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 65021313
[2-(2-chloro-6-methoxyphenyl)-1-propylazepan-3-yl]methanamine
CID 104818727
N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 104818671
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one
CID 104818739
2-(2-chloro-6-methoxyphenyl)-1-cyclopropylpyrrolidin-3-amine
CID 113456591
1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454757
1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 114866557
N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 104819149
1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 113329210
1-[2-(4-bromo-5-methylthiophen-2-yl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 102844581

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine (CID 104818684) is 1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine is CCN1CCC(CNC)C1c1c(Cl)cccc1OC.
What is the InChIKey of 1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is FCQLTIBEBGMUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-18-9-8-11(10-17-2)15(18)14-12(16)6-5-7-13(14)19-3/h5-7,11,15,17H,4,8-10H2,1-3H3.
What are the key properties of 1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 282.81 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 104818684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).