1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine

C13H12BrClFNOS — CID 63880196

IUPAC1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
SMILESCC(N)C(Oc1ccc(F)c(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C13H12BrClFNOS/c1-7(17)13(11-4-5-12(14)19-11)18-8-2-3-10(16)9(15)6-8/h2-7,13H,17H2,1H3
InChIKeyLQTRRTJDDYSQEI-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.77
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine

1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine (PubChem CID 63880196) has the molecular formula C13H12BrClFNOS and a molecular weight of 364.67 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
PubChem CID63880196
Molecular FormulaC13H12BrClFNOS
Molecular Weight364.67 g/mol
Exact Mass362.95
IUPAC Name1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
SMILESCC(N)C(Oc1ccc(F)c(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C13H12BrClFNOS/c1-7(17)13(11-4-5-12(14)19-11)18-8-2-3-10(16)9(15)6-8/h2-7,13H,17H2,1H3
InChIKeyLQTRRTJDDYSQEI-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
CID 63877779
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63460438
1-(4-bromophenyl)-1-(4-chloro-3-fluorophenoxy)propan-2-amine
CID 82716945
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655
1-(5-bromothiophen-2-yl)-1-(4-ethyl-2-methoxyphenoxy)propan-2-amine
CID 107663980
1-(4-chloro-3-fluorophenoxy)-1-thiophen-3-ylpropan-2-amine
CID 82716776
1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 82716782
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 83232003
2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
1-(5-bromothiophen-2-yl)-1-(4-iodophenoxy)butan-2-amine
CID 63461575
1-(5-chlorothiophen-2-yl)-1-(2,5-dibromo-4-methoxyphenoxy)propan-2-amine
CID 79406904
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 55180820

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine (CID 63880196) is 1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine is CC(N)C(Oc1ccc(F)c(Cl)c1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine?
The InChIKey is LQTRRTJDDYSQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFNOS/c1-7(17)13(11-4-5-12(14)19-11)18-8-2-3-10(16)9(15)6-8/h2-7,13H,17H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine?
1-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine has a molecular weight of 364.67 g/mol, XLogP of 4.77, 4 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-(3-chloro-4-fluorophenoxy)propan-2-amine is sourced from PubChem (CID 63880196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).