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

C10H20BrNO — CID 112591814

IUPAC3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESCC(C)(C)OCCN1CCC(Br)C1
InChIInChI=1S/C10H20BrNO/c1-10(2,3)13-7-6-12-5-4-9(11)8-12/h9H,4-8H2,1-3H3
InChIKeyJYHHNKQECHTEBH-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.27
Rot. Bonds3

About 3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (PubChem CID 112591814) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
PubChem CID112591814
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESCC(C)(C)OCCN1CCC(Br)C1
InChIInChI=1S/C10H20BrNO/c1-10(2,3)13-7-6-12-5-4-9(11)8-12/h9H,4-8H2,1-3H3
InChIKeyJYHHNKQECHTEBH-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.27
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

(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 103939668
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
3-bromo-1-(3,3-dimethylbutyl)pyrrolidine
CID 80676426
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 80676052
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
CID 114802641
1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
CID 154957359
(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 104976707
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
3-bromo-1-butylpyrrolidine
CID 80676410
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-piperidin-1-ylpiperidine
CID 56822093
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
CID 59334347

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The IUPAC name of 3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (CID 112591814) is 3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.
What is the SMILES notation for 3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The canonical SMILES for 3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is CC(C)(C)OCCN1CCC(Br)C1.
What is the InChIKey of 3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The InChIKey is JYHHNKQECHTEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-10(2,3)13-7-6-12-5-4-9(11)8-12/h9H,4-8H2,1-3H3.
What are the key properties of 3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine has a molecular weight of 250.18 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is sourced from PubChem (CID 112591814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).