1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine

C9H18ClNO — CID 63665888

IUPAC1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine
SMILESCC1CCCN1CCOCCCl
InChIInChI=1S/C9H18ClNO/c1-9-3-2-5-11(9)6-8-12-7-4-10/h9H,2-8H2,1H3
InChIKeyDMTUYRPXRWMVFD-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds5

About 1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine

1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine (PubChem CID 63665888) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine
PubChem CID63665888
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine
SMILESCC1CCCN1CCOCCCl
InChIInChI=1S/C9H18ClNO/c1-9-3-2-5-11(9)6-8-12-7-4-10/h9H,2-8H2,1H3
InChIKeyDMTUYRPXRWMVFD-UHFFFAOYSA-N
XLogP1.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
1-(5-chloropentyl)-2-methylpyrrolidine
CID 61288938
1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine
CID 83061887
1-[2-(2-chloroethoxy)ethyl]-3-methylpiperidin-2-one
CID 104679926
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(chloromethyl)pyrrolidine
CID 104567118
1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine
CID 69468960
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine
CID 66382227
1-(methoxymethyl)-2-methylpyrrolidine
CID 129145290
O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine
CID 55270241
N-(cyclopropylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 60973348
1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
CID 77189705

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine (CID 63665888) is 1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine is CC1CCCN1CCOCCCl.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine?
The InChIKey is DMTUYRPXRWMVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-9-3-2-5-11(9)6-8-12-7-4-10/h9H,2-8H2,1H3.
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine?
1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine has a molecular weight of 191.70 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine is sourced from PubChem (CID 63665888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).