1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine

C14H15Br2NO2S — CID 79415248

IUPAC1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine
SMILESCOc1cc(Br)c(OC(c2ccsc2)C(C)N)cc1Br
InChIInChI=1S/C14H15Br2NO2S/c1-8(17)14(9-3-4-20-7-9)19-13-6-10(15)12(18-2)5-11(13)16/h3-8,14H,17H2,1-2H3
InChIKeyDOLRBRPVOQKTNZ-UHFFFAOYSA-N
MW421.15 g/mol
LogP4.75
Rot. Bonds5

About 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine

1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine (PubChem CID 79415248) has the molecular formula C14H15Br2NO2S and a molecular weight of 421.15 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine
PubChem CID79415248
Molecular FormulaC14H15Br2NO2S
Molecular Weight421.15 g/mol
Exact Mass418.92
IUPAC Name1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine
SMILESCOc1cc(Br)c(OC(c2ccsc2)C(C)N)cc1Br
InChIInChI=1S/C14H15Br2NO2S/c1-8(17)14(9-3-4-20-7-9)19-13-6-10(15)12(18-2)5-11(13)16/h3-8,14H,17H2,1-2H3
InChIKeyDOLRBRPVOQKTNZ-UHFFFAOYSA-N
XLogP4.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.15
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 171198892
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
1-(5-chlorothiophen-2-yl)-1-(2,5-dibromo-4-methoxyphenoxy)propan-2-amine
CID 79406904
1-(2,4-dibromophenoxy)-1-thiophen-3-ylbutan-2-amine
CID 64718419
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine
CID 104706737
4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578
(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride
CID 10042912
1-(4-chloro-3-fluorophenoxy)-1-thiophen-3-ylpropan-2-amine
CID 82716776
2-[4-(2-amino-1-thiophen-3-ylpropoxy)phenyl]ethanol
CID 107708523
2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine
CID 79415829
3-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]thiophene
CID 65432606

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine (CID 79415248) is 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine is COc1cc(Br)c(OC(c2ccsc2)C(C)N)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is DOLRBRPVOQKTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO2S/c1-8(17)14(9-3-4-20-7-9)19-13-6-10(15)12(18-2)5-11(13)16/h3-8,14H,17H2,1-2H3.
What are the key properties of 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine?
1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 421.15 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 79415248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).