1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine

C14H14BrCl2NOS — CID 107655935

IUPAC1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1cc(Cl)c(Br)cc1Cl)c1cccs1
InChIInChI=1S/C14H14BrCl2NOS/c1-2-11(18)14(13-4-3-5-20-13)19-12-7-9(16)8(15)6-10(12)17/h3-7,11,14H,2,18H2,1H3
InChIKeyQBIASFOQDQHDKM-UHFFFAOYSA-N
MW395.15 g/mol
LogP5.67
Rot. Bonds5

About 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine

1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine (PubChem CID 107655935) has the molecular formula C14H14BrCl2NOS and a molecular weight of 395.15 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine
PubChem CID107655935
Molecular FormulaC14H14BrCl2NOS
Molecular Weight395.15 g/mol
Exact Mass392.94
IUPAC Name1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1cc(Cl)c(Br)cc1Cl)c1cccs1
InChIInChI=1S/C14H14BrCl2NOS/c1-2-11(18)14(13-4-3-5-20-13)19-12-7-9(16)8(15)6-10(12)17/h3-7,11,14H,2,18H2,1H3
InChIKeyQBIASFOQDQHDKM-UHFFFAOYSA-N
XLogP5.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.15
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-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

1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55020981
1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 115401622
2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine
CID 107656089
1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 83134104
1-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021117
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 62670759
1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 65124390
1-(2-bromophenyl)-1-(2,4-dichlorophenoxy)butan-2-amine
CID 63457464
1-[(3-bromophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 82827669
2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
CID 55021133
3-(2-amino-1-thiophen-2-ylbutoxy)-5-methoxybenzonitrile
CID 103566510

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine (CID 107655935) is 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine is CCC(N)C(Oc1cc(Cl)c(Br)cc1Cl)c1cccs1.
What is the InChIKey of 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is QBIASFOQDQHDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NOS/c1-2-11(18)14(13-4-3-5-20-13)19-12-7-9(16)8(15)6-10(12)17/h3-7,11,14H,2,18H2,1H3.
What are the key properties of 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine?
1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 395.15 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 107655935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).