2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol

C10H22BrNO — CID 64999932

IUPAC2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol
SMILESCCCN(CCO)CC(C)(C)CBr
InChIInChI=1S/C10H22BrNO/c1-4-5-12(6-7-13)9-10(2,3)8-11/h13H,4-9H2,1-3H3
InChIKeyZFSHOMPONZYSDI-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.11
Rot. Bonds7

About 2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol

2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol (PubChem CID 64999932) has the molecular formula C10H22BrNO and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol
PubChem CID64999932
Molecular FormulaC10H22BrNO
Molecular Weight252.20 g/mol
Exact Mass251.09
IUPAC Name2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol
SMILESCCCN(CCO)CC(C)(C)CBr
InChIInChI=1S/C10H22BrNO/c1-4-5-12(6-7-13)9-10(2,3)8-11/h13H,4-9H2,1-3H3
InChIKeyZFSHOMPONZYSDI-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
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-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol?
The IUPAC name of 2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol (CID 64999932) is 2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol is CCCN(CCO)CC(C)(C)CBr.
What is the InChIKey of 2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol?
The InChIKey is ZFSHOMPONZYSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO/c1-4-5-12(6-7-13)9-10(2,3)8-11/h13H,4-9H2,1-3H3.
What are the key properties of 2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol?
2-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol has a molecular weight of 252.20 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-[(3-bromo-2,2-dimethylpropyl)-propylamino]ethanol is sourced from PubChem (CID 64999932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).