1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine

C16H20BrNOS — CID 63457964

IUPAC1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
SMILESCCC(N)C(Oc1ccc(C)cc1C)c1cc(Br)cs1
InChIInChI=1S/C16H20BrNOS/c1-4-13(18)16(15-8-12(17)9-20-15)19-14-6-5-10(2)7-11(14)3/h5-9,13,16H,4,18H2,1-3H3
InChIKeyBYUXGVYUGGSYCV-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.98
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine

1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine (PubChem CID 63457964) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
PubChem CID63457964
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
SMILESCCC(N)C(Oc1ccc(C)cc1C)c1cc(Br)cs1
InChIInChI=1S/C16H20BrNOS/c1-4-13(18)16(15-8-12(17)9-20-15)19-14-6-5-10(2)7-11(14)3/h5-9,13,16H,4,18H2,1-3H3
InChIKeyBYUXGVYUGGSYCV-UHFFFAOYSA-N
XLogP4.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine
CID 63268698
1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
CID 63461975
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)butan-2-amine
CID 82004527
1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868
1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine
CID 102721664
1-(5-bromo-2-methylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
CID 107283434
1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 115401622
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine
CID 63459385
1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980448

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine (CID 63457964) is 1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine is CCC(N)C(Oc1ccc(C)cc1C)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine?
The InChIKey is BYUXGVYUGGSYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-4-13(18)16(15-8-12(17)9-20-15)19-14-6-5-10(2)7-11(14)3/h5-9,13,16H,4,18H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine?
1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine has a molecular weight of 354.31 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine is sourced from PubChem (CID 63457964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).