N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine

C14H15BrFNOS — CID 114677020

IUPACN-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
SMILESFc1ccc(Br)cc1OCCNCCc1ccsc1
InChIInChI=1S/C14H15BrFNOS/c15-12-1-2-13(16)14(9-12)18-7-6-17-5-3-11-4-8-19-10-11/h1-2,4,8-10,17H,3,5-7H2
InChIKeyKVVKKZMBUNAIJH-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.86
Rot. Bonds7

About N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine

N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 114677020) has the molecular formula C14H15BrFNOS and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
PubChem CID114677020
Molecular FormulaC14H15BrFNOS
Molecular Weight344.25 g/mol
Exact Mass343.00
IUPAC NameN-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
SMILESFc1ccc(Br)cc1OCCNCCc1ccsc1
InChIInChI=1S/C14H15BrFNOS/c15-12-1-2-13(16)14(9-12)18-7-6-17-5-3-11-4-8-19-10-11/h1-2,4,8-10,17H,3,5-7H2
InChIKeyKVVKKZMBUNAIJH-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine
CID 82825014
N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55093367
2-[4-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-ethylethanamine
CID 105351352
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
N-[2-(2,3-dimethylphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55088359
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 83140848
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 63517711
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine
CID 102947829
N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689146
N-[2-(4-bromo-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 62598740
N-[2-(5-bromo-2-fluorophenoxy)ethyl]butan-2-amine
CID 114676978

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine (CID 114677020) is N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine is Fc1ccc(Br)cc1OCCNCCc1ccsc1.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is KVVKKZMBUNAIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNOS/c15-12-1-2-13(16)14(9-12)18-7-6-17-5-3-11-4-8-19-10-11/h1-2,4,8-10,17H,3,5-7H2.
What are the key properties of N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 344.25 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 114677020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).