2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol

C9H20BrNO2 — CID 159765495

IUPAC2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol
SMILESCC1CCCN1CCO.OCCBr
InChIInChI=1S/C7H15NO.C2H5BrO/c1-7-3-2-4-8(7)5-6-9;3-1-2-4/h7,9H,2-6H2,1H3;4H,1-2H2
InChIKeyNFLFABNSUNTTEO-UHFFFAOYSA-N
MW254.17 g/mol
LogP0.84
Rot. Bonds3

About 2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol

2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol (PubChem CID 159765495) has the molecular formula C9H20BrNO2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol
PubChem CID159765495
Molecular FormulaC9H20BrNO2
Molecular Weight254.17 g/mol
Exact Mass253.07
IUPAC Name2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol
SMILESCC1CCCN1CCO.OCCBr
InChIInChI=1S/C7H15NO.C2H5BrO/c1-7-3-2-4-8(7)5-6-9;3-1-2-4/h7,9H,2-6H2,1H3;4H,1-2H2
InChIKeyNFLFABNSUNTTEO-UHFFFAOYSA-N
XLogP0.84
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
CID 77189705
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
2-amino-4-(2-methylpyrrolidin-1-yl)butan-1-ol
CID 64791163
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
(2-methylpiperidin-1-yl)methanol
CID 67262865
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
3-(2-methylazetidin-1-yl)propan-1-ol
CID 104549007
N-(cyclopropylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 60973348
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
2-[1-[(2-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanol
CID 114757403

Frequently Asked Questions

What is the IUPAC name of 2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol?
The IUPAC name of 2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol (CID 159765495) is 2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol is CC1CCCN1CCO.OCCBr.
What is the InChIKey of 2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol?
The InChIKey is NFLFABNSUNTTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H5BrO/c1-7-3-2-4-8(7)5-6-9;3-1-2-4/h7,9H,2-6H2,1H3;4H,1-2H2.
What are the key properties of 2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol?
2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol has a molecular weight of 254.17 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 159765495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).