1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine

C9H14BrNOS — CID 64537984

IUPAC1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COCc1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-9(2,11)6-12-5-7-3-4-8(10)13-7/h3-4H,5-6,11H2,1-2H3
InChIKeyWJCSUPRCZOBAMG-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.76
Rot. Bonds4

About 1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine

1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine (PubChem CID 64537984) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine
PubChem CID64537984
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COCc1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-9(2,11)6-12-5-7-3-4-8(10)13-7/h3-4H,5-6,11H2,1-2H3
InChIKeyWJCSUPRCZOBAMG-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine (CID 64537984) is 1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine is CC(C)(N)COCc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine?
The InChIKey is WJCSUPRCZOBAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-9(2,11)6-12-5-7-3-4-8(10)13-7/h3-4H,5-6,11H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine?
1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine has a molecular weight of 264.19 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 64537984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).