1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine

C9H14BrNOS — CID 105168152

IUPAC1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1csc(Br)c1
InChIInChI=1S/C9H14BrNOS/c1-6(2)12-4-8(11)7-3-9(10)13-5-7/h3,5-6,8H,4,11H2,1-2H3
InChIKeyWXPQNSGPZIKZSM-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.94
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine

1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine (PubChem CID 105168152) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine
PubChem CID105168152
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1csc(Br)c1
InChIInChI=1S/C9H14BrNOS/c1-6(2)12-4-8(11)7-3-9(10)13-5-7/h3,5-6,8H,4,11H2,1-2H3
InChIKeyWXPQNSGPZIKZSM-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-bromothiophen-3-yl)ethanamine
CID 96861697
(1R)-1-(5-bromothiophen-3-yl)ethanamine;hydrochloride
CID 154577460
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine
CID 105151667
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013420
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105089162
1-(5-bromothiophen-3-yl)pent-4-yn-1-amine
CID 105149125
1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine
CID 105138713
1-(2,4-dibromophenyl)-2-propan-2-yloxyethanamine
CID 107946374
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine (CID 105168152) is 1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine?
The InChIKey is WXPQNSGPZIKZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-6(2)12-4-8(11)7-3-9(10)13-5-7/h3,5-6,8H,4,11H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine?
1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine has a molecular weight of 264.19 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105168152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).