2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol

C9H20BrNO — CID 64995533

IUPAC2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol
SMILESCC(CBr)CN(CCO)C(C)C
InChIInChI=1S/C9H20BrNO/c1-8(2)11(4-5-12)7-9(3)6-10/h8-9,12H,4-7H2,1-3H3
InChIKeyUMOQHFAMJXZCHM-UHFFFAOYSA-N
MW238.17 g/mol
LogP1.72
Rot. Bonds6

About 2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol

2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol (PubChem CID 64995533) has the molecular formula C9H20BrNO and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol
PubChem CID64995533
Molecular FormulaC9H20BrNO
Molecular Weight238.17 g/mol
Exact Mass237.07
IUPAC Name2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol
SMILESCC(CBr)CN(CCO)C(C)C
InChIInChI=1S/C9H20BrNO/c1-8(2)11(4-5-12)7-9(3)6-10/h8-9,12H,4-7H2,1-3H3
InChIKeyUMOQHFAMJXZCHM-UHFFFAOYSA-N
XLogP1.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 51.72
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-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol (CID 64995533) is 2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol is CC(CBr)CN(CCO)C(C)C.
What is the InChIKey of 2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol?
The InChIKey is UMOQHFAMJXZCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO/c1-8(2)11(4-5-12)7-9(3)6-10/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol?
2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol has a molecular weight of 238.17 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-methylpropyl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 64995533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).