1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine

C14H15BrINS — CID 114027020

IUPAC1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cc(I)ccc1Br
InChIInChI=1S/C14H15BrINS/c1-2-17-14(7-10-5-6-18-9-10)12-8-11(16)3-4-13(12)15/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyVMPQGDKNJQYCJR-UHFFFAOYSA-N
MW436.16 g/mol
LogP5.01
Rot. Bonds5

About 1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine

1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 114027020) has the molecular formula C14H15BrINS and a molecular weight of 436.16 g/mol. Its IUPAC name is 1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID114027020
Molecular FormulaC14H15BrINS
Molecular Weight436.16 g/mol
Exact Mass434.92
IUPAC Name1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cc(I)ccc1Br
InChIInChI=1S/C14H15BrINS/c1-2-17-14(7-10-5-6-18-9-10)12-8-11(16)3-4-13(12)15/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyVMPQGDKNJQYCJR-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.16
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 114027019
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
CID 102757512
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137627
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 79596411

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine (CID 114027020) is 1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1cc(I)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is VMPQGDKNJQYCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrINS/c1-2-17-14(7-10-5-6-18-9-10)12-8-11(16)3-4-13(12)15/h3-6,8-9,14,17H,2,7H2,1H3.
What are the key properties of 1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 436.16 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-iodophenyl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 114027020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).