2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine

C17H19IN2 — CID 65477648

IUPAC2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(Cc2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C17H19IN2/c18-15-7-5-13(6-8-15)11-20-12-14(9-10-19)16-3-1-2-4-17(16)20/h1-8,14H,9-12,19H2
InChIKeyHUNCFICLUFSUBG-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.74
Rot. Bonds4

About 2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine

2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 65477648) has the molecular formula C17H19IN2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
PubChem CID65477648
Molecular FormulaC17H19IN2
Molecular Weight378.26 g/mol
Exact Mass378.06
IUPAC Name2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(Cc2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C17H19IN2/c18-15-7-5-13(6-8-15)11-20-12-14(9-10-19)16-3-1-2-4-17(16)20/h1-8,14H,9-12,19H2
InChIKeyHUNCFICLUFSUBG-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine (CID 65477648) is 2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine is NCCC1CN(Cc2ccc(I)cc2)c2ccccc21.
What is the InChIKey of 2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is HUNCFICLUFSUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2/c18-15-7-5-13(6-8-15)11-20-12-14(9-10-19)16-3-1-2-4-17(16)20/h1-8,14H,9-12,19H2.
What are the key properties of 2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 378.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 65477648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).