2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

C11H22ClNO — CID 112591756

IUPAC2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESCC(C)(C)OCCN1CCCC1CCl
InChIInChI=1S/C11H22ClNO/c1-11(2,3)14-8-7-13-6-4-5-10(13)9-12/h10H,4-9H2,1-3H3
InChIKeyWESVYXLYEDGBPV-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.50
Rot. Bonds4

About 2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (PubChem CID 112591756) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
PubChem CID112591756
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESCC(C)(C)OCCN1CCCC1CCl
InChIInChI=1S/C11H22ClNO/c1-11(2,3)14-8-7-13-6-4-5-10(13)9-12/h10H,4-9H2,1-3H3
InChIKeyWESVYXLYEDGBPV-UHFFFAOYSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.50
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

[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine
CID 112589800
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azepan-2-yl]methanamine
CID 116640435
2-(chloromethyl)-1-(2-methoxyethyl)piperidine
CID 63386615
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(chloromethyl)pyrrolidine
CID 104567118
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methyl]ethanamine
CID 112589848
1-(2-chloroethyl)-2-(chloromethyl)pyrrolidine;hydrochloride
CID 21144551
2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 113427471
2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine
CID 127009301
(2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 146334915
2-(2-chloropropyl)-1-[2-(trifluoromethoxy)ethyl]azepane
CID 112748053
1-(2-tert-butylsulfonylethyl)-2-(chloromethyl)azepane
CID 106731384
2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112589887

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (CID 112591756) is 2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is CC(C)(C)OCCN1CCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The InChIKey is WESVYXLYEDGBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-11(2,3)14-8-7-13-6-4-5-10(13)9-12/h10H,4-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine has a molecular weight of 219.76 g/mol, XLogP of 2.50, 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-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is sourced from PubChem (CID 112591756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).