1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol

C13H26BrNO — CID 112628053

IUPAC1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
SMILESCCC(CC)(CBr)CN1CCC(C(C)O)C1
InChIInChI=1S/C13H26BrNO/c1-4-13(5-2,9-14)10-15-7-6-12(8-15)11(3)16/h11-12,16H,4-10H2,1-3H3
InChIKeyNDFNILKAGKUZOH-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.89
Rot. Bonds6

About 1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol

1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol (PubChem CID 112628053) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
PubChem CID112628053
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
SMILESCCC(CC)(CBr)CN1CCC(C(C)O)C1
InChIInChI=1S/C13H26BrNO/c1-4-13(5-2,9-14)10-15-7-6-12(8-15)11(3)16/h11-12,16H,4-10H2,1-3H3
InChIKeyNDFNILKAGKUZOH-UHFFFAOYSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol
CID 112629123
3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 103935797
methyl N-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]carbamate
CID 113402602
1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
CID 112628065
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628491
1-[2-(bromomethyl)-2-ethylbutyl]-3-ethoxypiperidine
CID 65003831
1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65003733
1-[2-(bromomethyl)-2-ethylbutyl]-4-piperidin-1-ylpiperidine
CID 65003379
1-[2-(bromomethyl)-2-ethylbutyl]-4-ethylpiperazine
CID 64998808
2-[2-(bromomethyl)-2-ethylbutyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81102920
1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 112628064
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol
CID 112626536

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol (CID 112628053) is 1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol is CCC(CC)(CBr)CN1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol?
The InChIKey is NDFNILKAGKUZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-4-13(5-2,9-14)10-15-7-6-12(8-15)11(3)16/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol has a molecular weight of 292.26 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).