2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine

C15H16BrIN2 — CID 105036667

IUPAC2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1ccc(I)cc1
InChIInChI=1S/C15H16BrIN2/c1-2-19-15(12-3-5-14(17)6-4-12)8-11-7-13(16)10-18-9-11/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyMYLJKECMEJTNQR-UHFFFAOYSA-N
MW431.12 g/mol
LogP4.34
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine

2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine (PubChem CID 105036667) has the molecular formula C15H16BrIN2 and a molecular weight of 431.12 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
PubChem CID105036667
Molecular FormulaC15H16BrIN2
Molecular Weight431.12 g/mol
Exact Mass429.95
IUPAC Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1ccc(I)cc1
InChIInChI=1S/C15H16BrIN2/c1-2-19-15(12-3-5-14(17)6-4-12)8-11-7-13(16)10-18-9-11/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyMYLJKECMEJTNQR-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.12
LogP ≤ 54.34
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

2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803662
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
CID 104804061
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 104803602
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104802502
1-(5-bromo-3-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83183662
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 66426048

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine (CID 105036667) is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine is CCNC(Cc1cncc(Br)c1)c1ccc(I)cc1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The InChIKey is MYLJKECMEJTNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrIN2/c1-2-19-15(12-3-5-14(17)6-4-12)8-11-7-13(16)10-18-9-11/h3-7,9-10,15,19H,2,8H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine has a molecular weight of 431.12 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 105036667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).