2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine

C15H18BrNOS — CID 115401637

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
SMILESCC(C)c1cc(Br)ccc1OC(CN)c1cccs1
InChIInChI=1S/C15H18BrNOS/c1-10(2)12-8-11(16)5-6-13(12)18-14(9-17)15-4-3-7-19-15/h3-8,10,14H,9,17H2,1-2H3
InChIKeyAWPPOMSMVUAYHQ-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.71
Rot. Bonds5

About 2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine

2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine (PubChem CID 115401637) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
PubChem CID115401637
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
SMILESCC(C)c1cc(Br)ccc1OC(CN)c1cccs1
InChIInChI=1S/C15H18BrNOS/c1-10(2)12-8-11(16)5-6-13(12)18-14(9-17)15-4-3-7-19-15/h3-8,10,14H,9,17H2,1-2H3
InChIKeyAWPPOMSMVUAYHQ-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 115401622
2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine
CID 115401662
2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine
CID 115401604
2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine
CID 107656089
2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 55022021
2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
CID 55021133
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-thiophen-2-ylethanamine
CID 102714299
2-(4-methoxyphenoxy)-2-thiophen-2-ylethanamine
CID 55020992

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine (CID 115401637) is 2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine is CC(C)c1cc(Br)ccc1OC(CN)c1cccs1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine?
The InChIKey is AWPPOMSMVUAYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-10(2)12-8-11(16)5-6-13(12)18-14(9-17)15-4-3-7-19-15/h3-8,10,14H,9,17H2,1-2H3.
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine?
2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 115401637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).