1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine

C15H17BrClNOS — CID 63460438

IUPAC1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Cl)c(C)c1)c1ccc(Br)s1
InChIInChI=1S/C15H17BrClNOS/c1-3-12(18)15(13-6-7-14(16)20-13)19-10-4-5-11(17)9(2)8-10/h4-8,12,15H,3,18H2,1-2H3
InChIKeyOXZUKLQPXSUXGF-UHFFFAOYSA-N
MW374.73 g/mol
LogP5.33
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine

1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine (PubChem CID 63460438) has the molecular formula C15H17BrClNOS and a molecular weight of 374.73 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
PubChem CID63460438
Molecular FormulaC15H17BrClNOS
Molecular Weight374.73 g/mol
Exact Mass372.99
IUPAC Name1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Cl)c(C)c1)c1ccc(Br)s1
InChIInChI=1S/C15H17BrClNOS/c1-3-12(18)15(13-6-7-14(16)20-13)19-10-4-5-11(17)9(2)8-10/h4-8,12,15H,3,18H2,1-2H3
InChIKeyOXZUKLQPXSUXGF-UHFFFAOYSA-N
XLogP5.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.73
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021117
1-(5-bromothiophen-2-yl)-1-(4-iodophenoxy)butan-2-amine
CID 63461575
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343
1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 63461783
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
CID 63461975
1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
CID 63880196
1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 83134104
1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
CID 66276064
1-(5-bromothiophen-2-yl)-1-octoxybutan-2-amine
CID 63461387
1-(4-chloro-3-fluorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 82716704
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine (CID 63460438) is 1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine is CCC(N)C(Oc1ccc(Cl)c(C)c1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine?
The InChIKey is OXZUKLQPXSUXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNOS/c1-3-12(18)15(13-6-7-14(16)20-13)19-10-4-5-11(17)9(2)8-10/h4-8,12,15H,3,18H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine?
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine has a molecular weight of 374.73 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine is sourced from PubChem (CID 63460438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).