1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine

C15H17Br2NOS — CID 63461975

IUPAC1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)cc1C)c1ccc(Br)s1
InChIInChI=1S/C15H17Br2NOS/c1-3-11(18)15(13-6-7-14(17)20-13)19-12-5-4-10(16)8-9(12)2/h4-8,11,15H,3,18H2,1-2H3
InChIKeyIRWGIDCKVFPRDT-UHFFFAOYSA-N
MW419.18 g/mol
LogP5.44
Rot. Bonds5

About 1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine

1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine (PubChem CID 63461975) has the molecular formula C15H17Br2NOS and a molecular weight of 419.18 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
PubChem CID63461975
Molecular FormulaC15H17Br2NOS
Molecular Weight419.18 g/mol
Exact Mass416.94
IUPAC Name1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)cc1C)c1ccc(Br)s1
InChIInChI=1S/C15H17Br2NOS/c1-3-11(18)15(13-6-7-14(17)20-13)19-12-5-4-10(16)8-9(12)2/h4-8,11,15H,3,18H2,1-2H3
InChIKeyIRWGIDCKVFPRDT-UHFFFAOYSA-N
XLogP5.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.18
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63460438
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
CID 63457964
1-(5-bromothiophen-2-yl)-1-(4-iodophenoxy)butan-2-amine
CID 63461575
1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 63461783
1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 115401622
1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
CID 66276064
4-[2-amino-1-(5-methylthiophen-2-yl)butoxy]-3-fluorobenzonitrile
CID 107670285
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
1-(5-bromothiophen-2-yl)-1-octoxybutan-2-amine
CID 63461387
1-(5-bromothiophen-2-yl)-1-(4,4,4-trifluorobutoxy)butan-2-amine
CID 82788546

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine?
The IUPAC name of 1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine (CID 63461975) is 1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine is CCC(N)C(Oc1ccc(Br)cc1C)c1ccc(Br)s1.
What is the InChIKey of 1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine?
The InChIKey is IRWGIDCKVFPRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NOS/c1-3-11(18)15(13-6-7-14(17)20-13)19-12-5-4-10(16)8-9(12)2/h4-8,11,15H,3,18H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine?
1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine has a molecular weight of 419.18 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine is sourced from PubChem (CID 63461975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).