2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol

C11H22BrNO — CID 65011905

IUPAC2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol
SMILESCC(C)C(CBr)CN(CCO)C1CC1
InChIInChI=1S/C11H22BrNO/c1-9(2)10(7-12)8-13(5-6-14)11-3-4-11/h9-11,14H,3-8H2,1-2H3
InChIKeyFQDUXRJFTWYDKS-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.11
Rot. Bonds7

About 2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol

2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol (PubChem CID 65011905) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol
PubChem CID65011905
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol
SMILESCC(C)C(CBr)CN(CCO)C1CC1
InChIInChI=1S/C11H22BrNO/c1-9(2)10(7-12)8-13(5-6-14)11-3-4-11/h9-11,14H,3-8H2,1-2H3
InChIKeyFQDUXRJFTWYDKS-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol?
The IUPAC name of 2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol (CID 65011905) is 2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol?
The canonical SMILES for 2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol is CC(C)C(CBr)CN(CCO)C1CC1.
What is the InChIKey of 2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol?
The InChIKey is FQDUXRJFTWYDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-9(2)10(7-12)8-13(5-6-14)11-3-4-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol?
2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol has a molecular weight of 264.21 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(bromomethyl)-3-methylbutyl]-cyclopropylamino]ethanol is sourced from PubChem (CID 65011905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).