1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine

C14H15Br2NOS — CID 64718419

IUPAC1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)cc1Br)c1ccsc1
InChIInChI=1S/C14H15Br2NOS/c1-2-12(17)14(9-5-6-19-8-9)18-13-4-3-10(15)7-11(13)16/h3-8,12,14H,2,17H2,1H3
InChIKeyDBGPTTWILRPMGT-UHFFFAOYSA-N
MW405.16 g/mol
LogP5.13
Rot. Bonds5

About 1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine

1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine (PubChem CID 64718419) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is 1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine
PubChem CID64718419
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC Name1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)cc1Br)c1ccsc1
InChIInChI=1S/C14H15Br2NOS/c1-2-12(17)14(9-5-6-19-8-9)18-13-4-3-10(15)7-11(13)16/h3-8,12,14H,2,17H2,1H3
InChIKeyDBGPTTWILRPMGT-UHFFFAOYSA-N
XLogP5.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.16
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine
CID 107656259
(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464834
1-(2-bromophenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460434
1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine
CID 79415248
1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868
1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 115401622
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 114671911
1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine
CID 62116806
1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
CID 63457964
1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
CID 63461975
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine (CID 64718419) is 1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine is CCC(N)C(Oc1ccc(Br)cc1Br)c1ccsc1.
What is the InChIKey of 1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine?
The InChIKey is DBGPTTWILRPMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c1-2-12(17)14(9-5-6-19-8-9)18-13-4-3-10(15)7-11(13)16/h3-8,12,14H,2,17H2,1H3.
What are the key properties of 1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine?
1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine has a molecular weight of 405.16 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 64718419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).