1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine

C17H22BrNOS — CID 115401622

IUPAC1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)cc1C(C)C)c1cccs1
InChIInChI=1S/C17H22BrNOS/c1-4-14(19)17(16-6-5-9-21-16)20-15-8-7-12(18)10-13(15)11(2)3/h5-11,14,17H,4,19H2,1-3H3
InChIKeyWWMDWFXDXBUVJJ-UHFFFAOYSA-N
MW368.34 g/mol
LogP5.49
Rot. Bonds6

About 1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine

1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine (PubChem CID 115401622) has the molecular formula C17H22BrNOS and a molecular weight of 368.34 g/mol. Its IUPAC name is 1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
PubChem CID115401622
Molecular FormulaC17H22BrNOS
Molecular Weight368.34 g/mol
Exact Mass367.06
IUPAC Name1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)cc1C(C)C)c1cccs1
InChIInChI=1S/C17H22BrNOS/c1-4-14(19)17(16-6-5-9-21-16)20-15-8-7-12(18)10-13(15)11(2)3/h5-11,14,17H,4,19H2,1-3H3
InChIKeyWWMDWFXDXBUVJJ-UHFFFAOYSA-N
XLogP5.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 115401637
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 107655935
1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55020981
1-[(3-bromophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 82827669
1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 83134104
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910
1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
CID 63461975
1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine
CID 64718419
1-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021117
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
3-(2-amino-1-thiophen-2-ylbutoxy)-5-methoxybenzonitrile
CID 103566510

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine (CID 115401622) is 1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine is CCC(N)C(Oc1ccc(Br)cc1C(C)C)c1cccs1.
What is the InChIKey of 1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is WWMDWFXDXBUVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNOS/c1-4-14(19)17(16-6-5-9-21-16)20-15-8-7-12(18)10-13(15)11(2)3/h5-11,14,17H,4,19H2,1-3H3.
What are the key properties of 1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine?
1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 368.34 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 115401622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).