1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide

C6H16BrNO — CID 173066924

IUPAC1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide
SMILESBr.CC(N)OC(C)(C)C
InChIInChI=1S/C6H15NO.BrH/c1-5(7)8-6(2,3)4;/h5H,7H2,1-4H3;1H
InChIKeyCNOJJNCNUZJKEU-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.68
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide

1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide (PubChem CID 173066924) has the molecular formula C6H16BrNO and a molecular weight of 198.10 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide
PubChem CID173066924
Molecular FormulaC6H16BrNO
Molecular Weight198.10 g/mol
Exact Mass197.04
IUPAC Name1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide
SMILESBr.CC(N)OC(C)(C)C
InChIInChI=1S/C6H15NO.BrH/c1-5(7)8-6(2,3)4;/h5H,7H2,1-4H3;1H
InChIKeyCNOJJNCNUZJKEU-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 87508995
1-(2-methylbutan-2-yloxy)ethanamine
CID 23371049
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 134406960
2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol
CID 174661773
2-amino-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 87381606
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane
CID 175098848
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
1-(1,1-diphenylethoxy)ethanamine
CID 66761557
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834
[2-(1-aminoethoxy)-3-methylbutan-2-yl]phosphonic acid
CID 173067047
methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
bis[(2-methylpropan-2-yl)oxy]methanol
CID 121276629

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide (CID 173066924) is 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide is Br.CC(N)OC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide?
The InChIKey is CNOJJNCNUZJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.BrH/c1-5(7)8-6(2,3)4;/h5H,7H2,1-4H3;1H.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide?
1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide has a molecular weight of 198.10 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide is sourced from PubChem (CID 173066924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).