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

C8H18BrNO2 — CID 112561814

IUPAC1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol
SMILESCCOCCN(C)CC(O)CBr
InChIInChI=1S/C8H18BrNO2/c1-3-12-5-4-10(2)7-8(11)6-9/h8,11H,3-7H2,1-2H3
InChIKeyKZBZTHMNDNPZTF-UHFFFAOYSA-N
MW240.14 g/mol
LogP0.71
Rot. Bonds7

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

1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol (PubChem CID 112561814) has the molecular formula C8H18BrNO2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol
PubChem CID112561814
Molecular FormulaC8H18BrNO2
Molecular Weight240.14 g/mol
Exact Mass239.05
IUPAC Name1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol
SMILESCCOCCN(C)CC(O)CBr
InChIInChI=1S/C8H18BrNO2/c1-3-12-5-4-10(2)7-8(11)6-9/h8,11H,3-7H2,1-2H3
InChIKeyKZBZTHMNDNPZTF-UHFFFAOYSA-N
XLogP0.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-ethoxyethyl(methyl)amino]pentan-2-ol
CID 81061715
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 112561816
1-ethoxy-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 80710339
3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
CID 81062061
1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 63934385
1-[2-(dimethylamino)ethyl-methylamino]-3-ethoxypropan-2-ol
CID 63932351
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910844
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341
1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol
CID 82959902
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203
3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile
CID 81061726

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol (CID 112561814) is 1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol is CCOCCN(C)CC(O)CBr.
What is the InChIKey of 1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol?
The InChIKey is KZBZTHMNDNPZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2/c1-3-12-5-4-10(2)7-8(11)6-9/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol?
1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol has a molecular weight of 240.14 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 112561814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).