1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine

C15H18BrNOS — CID 83134104

IUPAC1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)c(C)c1)c1cccs1
InChIInChI=1S/C15H18BrNOS/c1-3-13(17)15(14-5-4-8-19-14)18-11-6-7-12(16)10(2)9-11/h4-9,13,15H,3,17H2,1-2H3
InChIKeyOFQMSZCFNCBYLS-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.68
Rot. Bonds5

About 1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine

1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine (PubChem CID 83134104) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
PubChem CID83134104
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)c(C)c1)c1cccs1
InChIInChI=1S/C15H18BrNOS/c1-3-13(17)15(14-5-4-8-19-14)18-11-6-7-12(16)10(2)9-11/h4-9,13,15H,3,17H2,1-2H3
InChIKeyOFQMSZCFNCBYLS-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021117
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 83133333
1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 107655935
1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 115401622
2-(4-bromo-3-methylphenoxy)-1,1,1-trifluoropentan-3-amine
CID 83133335
3-(2-amino-1-thiophen-2-ylbutoxy)-5-methoxybenzonitrile
CID 103566510
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63460438
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
1-[(3-bromophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 82827669
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343
1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
CID 83133006

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine (CID 83134104) is 1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine is CCC(N)C(Oc1ccc(Br)c(C)c1)c1cccs1.
What is the InChIKey of 1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is OFQMSZCFNCBYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-13(17)15(14-5-4-8-19-14)18-11-6-7-12(16)10(2)9-11/h4-9,13,15H,3,17H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine?
1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 340.29 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 83134104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).