2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine

C9H18ClNO — CID 102784971

IUPAC2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine
SMILESCOCCN1CCC(C)C1CCl
InChIInChI=1S/C9H18ClNO/c1-8-3-4-11(5-6-12-2)9(8)7-10/h8-9H,3-7H2,1-2H3
InChIKeyJABRIMFDPMMUPI-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.58
Rot. Bonds4

About 2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine

2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine (PubChem CID 102784971) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine
PubChem CID102784971
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine
SMILESCOCCN1CCC(C)C1CCl
InChIInChI=1S/C9H18ClNO/c1-8-3-4-11(5-6-12-2)9(8)7-10/h8-9H,3-7H2,1-2H3
InChIKeyJABRIMFDPMMUPI-UHFFFAOYSA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 102784580
2-(chloromethyl)-3-methyl-1-(2-phenylsulfanylethyl)pyrrolidine
CID 102784929
2-(chloromethyl)-1-(2-methoxyethyl)piperidine
CID 63386615
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol
CID 102786734
[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
CID 106456281
(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130723594
2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
CID 102784680
O-[2-(2,3-dimethylpyrrolidin-1-yl)ethyl]hydroxylamine
CID 130964379
2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457903
2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine
CID 102784519
[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
CID 102789795
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine (CID 102784971) is 2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine is COCCN1CCC(C)C1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine?
The InChIKey is JABRIMFDPMMUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-8-3-4-11(5-6-12-2)9(8)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine?
2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine has a molecular weight of 191.70 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine is sourced from PubChem (CID 102784971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).