N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine

C15H18BrNOS — CID 82825014

IUPACN-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine
SMILESBrc1ccc(COCCNCCc2ccsc2)cc1
InChIInChI=1S/C15H18BrNOS/c16-15-3-1-13(2-4-15)11-18-9-8-17-7-5-14-6-10-19-12-14/h1-4,6,10,12,17H,5,7-9,11H2
InChIKeyISUYRQVZVIDXOZ-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.86
Rot. Bonds8

About N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine

N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine (PubChem CID 82825014) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine
PubChem CID82825014
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine
SMILESBrc1ccc(COCCNCCc2ccsc2)cc1
InChIInChI=1S/C15H18BrNOS/c16-15-3-1-13(2-4-15)11-18-9-8-17-7-5-14-6-10-19-12-14/h1-4,6,10,12,17H,5,7-9,11H2
InChIKeyISUYRQVZVIDXOZ-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
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-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 114677020
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine
CID 62598298
N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82825733
3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
CID 82939993
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 83140848
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55093367

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine (CID 82825014) is N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine is Brc1ccc(COCCNCCc2ccsc2)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is ISUYRQVZVIDXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c16-15-3-1-13(2-4-15)11-18-9-8-17-7-5-14-6-10-19-12-14/h1-4,6,10,12,17H,5,7-9,11H2.
What are the key properties of N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine?
N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 340.29 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 82825014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).