3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine

C13H14BrNOS — CID 54971662

IUPAC3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine
SMILESNC(CCOc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C13H14BrNOS/c14-10-3-5-11(6-4-10)16-8-7-12(15)13-2-1-9-17-13/h1-6,9,12H,7-8,15H2
InChIKeyUCMHNTAYQOMVNM-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.98
Rot. Bonds5

About 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine

3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine (PubChem CID 54971662) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine
PubChem CID54971662
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine
SMILESNC(CCOc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C13H14BrNOS/c14-10-3-5-11(6-4-10)16-8-7-12(15)13-2-1-9-17-13/h1-6,9,12H,7-8,15H2
InChIKeyUCMHNTAYQOMVNM-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-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

3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
CID 84753072
(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
CID 60700084
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine
CID 117240220
4-[4-(1-benzothiophen-3-yl)phenoxy]-1-thiophen-2-ylbutan-1-amine
CID 67011989
3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine
CID 54971173
3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
4-amino-4-thiophen-2-ylbutanamide
CID 60860619
(3-phenoxy-1-thiophen-2-ylpropyl)hydrazine
CID 105191394

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine (CID 54971662) is 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine is NC(CCOc1ccc(Br)cc1)c1cccs1.
What is the InChIKey of 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is UCMHNTAYQOMVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c14-10-3-5-11(6-4-10)16-8-7-12(15)13-2-1-9-17-13/h1-6,9,12H,7-8,15H2.
What are the key properties of 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine?
3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 312.23 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 54971662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).