1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol

C9H20BrNO2 — CID 112561816

IUPAC1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
SMILESCC(C)OCCN(C)CC(O)CBr
InChIInChI=1S/C9H20BrNO2/c1-8(2)13-5-4-11(3)7-9(12)6-10/h8-9,12H,4-7H2,1-3H3
InChIKeyYKVKNALULLSBBH-UHFFFAOYSA-N
MW254.17 g/mol
LogP1.10
Rot. Bonds7

About 1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol

1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol (PubChem CID 112561816) has the molecular formula C9H20BrNO2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
PubChem CID112561816
Molecular FormulaC9H20BrNO2
Molecular Weight254.17 g/mol
Exact Mass253.07
IUPAC Name1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
SMILESCC(C)OCCN(C)CC(O)CBr
InChIInChI=1S/C9H20BrNO2/c1-8(2)13-5-4-11(3)7-9(12)6-10/h8-9,12H,4-7H2,1-3H3
InChIKeyYKVKNALULLSBBH-UHFFFAOYSA-N
XLogP1.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-Hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol
CID 18683848
(3-Bromo-2-hydroxypropyl)-triethylazanium
CID 22114462
(3-Bromo-2-hydroxypropyl)-tributylazanium
CID 22114475
1-[{2-[2-(Dimethylamino)ethoxy]ethyl}(methyl)amino]propan-2-ol
CID 53996232
1-[2-Hydroxypropyl(2-methoxyethyl)amino]propan-2-ol
CID 59003364
1-[Bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
2-[Methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 60683813
2-[Ethyl(2-propan-2-yloxyethyl)amino]ethanol
CID 60686060
2-[2-Hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol
CID 60686431
1-[Ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61446994
1-[2-Ethoxyethyl(methyl)amino]propan-2-ol
CID 62334135
3-bromo-N-(2-ethoxyethyl)-N-methylpropan-1-amine
CID 81062612

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol?
The IUPAC name of 1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol (CID 112561816) is 1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol is CC(C)OCCN(C)CC(O)CBr.
What is the InChIKey of 1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol?
The InChIKey is YKVKNALULLSBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO2/c1-8(2)13-5-4-11(3)7-9(12)6-10/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol?
1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol has a molecular weight of 254.17 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol is sourced from PubChem (CID 112561816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).