N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine

C14H15Br2NOS — CID 106047006

IUPACN-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine
SMILESBrc1ccc(OCCNCCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H15Br2NOS/c15-11-1-3-12(4-2-11)18-10-9-17-8-7-13-5-6-14(16)19-13/h1-6,17H,7-10H2
InChIKeyFROBZSDSGPOLOU-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.48
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine

N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine (PubChem CID 106047006) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine
PubChem CID106047006
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine
SMILESBrc1ccc(OCCNCCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H15Br2NOS/c15-11-1-3-12(4-2-11)18-10-9-17-8-7-13-5-6-14(16)19-13/h1-6,17H,7-10H2
InChIKeyFROBZSDSGPOLOU-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.48
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

2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106047173
N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 106042832
N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
CID 106046795
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572745
5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine
CID 107320366
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
butyl 2-[2-(5-bromothiophen-2-yl)ethylamino]acetate
CID 106037206
N-[2-(4-bromophenoxy)ethyl]-2-(3-methylphenyl)ethanamine
CID 63492781
1-(4-bromophenoxy)-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
CID 60744441
N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106047111

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine (CID 106047006) is N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine is Brc1ccc(OCCNCCc2ccc(Br)s2)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine?
The InChIKey is FROBZSDSGPOLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c15-11-1-3-12(4-2-11)18-10-9-17-8-7-13-5-6-14(16)19-13/h1-6,17H,7-10H2.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine?
N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine has a molecular weight of 405.16 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-2-(5-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 106047006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).