2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine

C14H15Br2NOS — CID 107739555

IUPAC2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
SMILESNCCc1cc(Br)c(OCCc2ccsc2)c(Br)c1
InChIInChI=1S/C14H15Br2NOS/c15-12-7-11(1-4-17)8-13(16)14(12)18-5-2-10-3-6-19-9-10/h3,6-9H,1-2,4-5,17H2
InChIKeyRNYDZMLAHCFZAG-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.40
Rot. Bonds6

About 2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine

2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine (PubChem CID 107739555) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
PubChem CID107739555
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC Name2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
SMILESNCCc1cc(Br)c(OCCc2ccsc2)c(Br)c1
InChIInChI=1S/C14H15Br2NOS/c15-12-7-11(1-4-17)8-13(16)14(12)18-5-2-10-3-6-19-9-10/h3,6-9H,1-2,4-5,17H2
InChIKeyRNYDZMLAHCFZAG-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]methyl]ethanamine
CID 107742111
(E)-3-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]prop-2-enoic acid
CID 107739217
2-[3,5-dibromo-4-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 107739418
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine
CID 112607618
3-[2-[2-(bromomethyl)-6-methylphenoxy]ethyl]thiophene
CID 112614183
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739499
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019
4-[[4-(2-aminoethyl)-2,6-dibromophenoxy]methyl]benzonitrile
CID 107739632
2-[3,5-dibromo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 107739417
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide
CID 107739480

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine (CID 107739555) is 2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine is NCCc1cc(Br)c(OCCc2ccsc2)c(Br)c1.
What is the InChIKey of 2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine?
The InChIKey is RNYDZMLAHCFZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c15-12-7-11(1-4-17)8-13(16)14(12)18-5-2-10-3-6-19-9-10/h3,6-9H,1-2,4-5,17H2.
What are the key properties of 2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine?
2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine has a molecular weight of 405.16 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 107739555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).