4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine

C10H20BrNO — CID 131025728

IUPAC4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine
SMILESCOC(C)(C)CN1CC(Br)CC1C
InChIInChI=1S/C10H20BrNO/c1-8-5-9(11)6-12(8)7-10(2,3)13-4/h8-9H,5-7H2,1-4H3
InChIKeyGTEPWGFOJOIRDA-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.27
Rot. Bonds3

About 4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine

4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine (PubChem CID 131025728) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine
PubChem CID131025728
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine
SMILESCOC(C)(C)CN1CC(Br)CC1C
InChIInChI=1S/C10H20BrNO/c1-8-5-9(11)6-12(8)7-10(2,3)13-4/h8-9H,5-7H2,1-4H3
InChIKeyGTEPWGFOJOIRDA-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

2-(2-methoxy-2-methylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104567408
6-bromo-4-(2-methoxy-2-methylpropyl)-1,4-oxazepane
CID 131219590
1-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-ylpiperazine
CID 104766282
N-(2-methoxy-2-methylpropyl)-1,2,5-trimethylpiperidin-4-amine
CID 115728653
1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine
CID 67575978
[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 115486200
4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 130948914
1-(2-methoxy-2-methylpropyl)piperidine
CID 23384646
4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol
CID 67843504
[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 104567928
5-bromo-1-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-amine
CID 130639946
N-(3-methoxy-3-methylbutyl)-2,6-dimethylpiperidin-1-amine
CID 103033530

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine?
The IUPAC name of 4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine (CID 131025728) is 4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine.
What is the SMILES notation for 4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine?
The canonical SMILES for 4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine is COC(C)(C)CN1CC(Br)CC1C.
What is the InChIKey of 4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine?
The InChIKey is GTEPWGFOJOIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-8-5-9(11)6-12(8)7-10(2,3)13-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine?
4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine 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 4-bromo-1-(2-methoxy-2-methylpropyl)-2-methylpyrrolidine is sourced from PubChem (CID 131025728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).