2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol

C8H18BrNO — CID 104553861

IUPAC2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol
SMILESCC(CBr)CN(C)C(C)CO
InChIInChI=1S/C8H18BrNO/c1-7(4-9)5-10(3)8(2)6-11/h7-8,11H,4-6H2,1-3H3
InChIKeyRDJMRONNLWIRCZ-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.33
Rot. Bonds5

About 2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol

2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol (PubChem CID 104553861) has the molecular formula C8H18BrNO and a molecular weight of 224.14 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol
PubChem CID104553861
Molecular FormulaC8H18BrNO
Molecular Weight224.14 g/mol
Exact Mass223.06
IUPAC Name2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol
SMILESCC(CBr)CN(C)C(C)CO
InChIInChI=1S/C8H18BrNO/c1-7(4-9)5-10(3)8(2)6-11/h7-8,11H,4-6H2,1-3H3
InChIKeyRDJMRONNLWIRCZ-UHFFFAOYSA-N
XLogP1.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol
CID 64995595
ethyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552494
6-bromo-2,5-dimethylhexan-1-ol
CID 21319862
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide
CID 104556549
2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
CID 115772235
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
3-(diethylamino)-2-methylpropan-1-ol
CID 159908880
1-bromo-3-fluoro-2-methylpropane
CID 72682751
2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551581
2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol
CID 115736745

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol (CID 104553861) is 2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol is CC(CBr)CN(C)C(C)CO.
What is the InChIKey of 2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol?
The InChIKey is RDJMRONNLWIRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO/c1-7(4-9)5-10(3)8(2)6-11/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol?
2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol has a molecular weight of 224.14 g/mol, XLogP of 1.33, 5 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)-methylamino]propan-1-ol is sourced from PubChem (CID 104553861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).