2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine

C17H15IN2 — CID 65476898

IUPAC2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine
SMILESNC(Cc1ccc(I)cc1)c1nccc2ccccc12
InChIInChI=1S/C17H15IN2/c18-14-7-5-12(6-8-14)11-16(19)17-15-4-2-1-3-13(15)9-10-20-17/h1-10,16H,11,19H2
InChIKeyXAGJQRMFBTXEEZ-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.08
Rot. Bonds3

About 2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine

2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine (PubChem CID 65476898) has the molecular formula C17H15IN2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine
PubChem CID65476898
Molecular FormulaC17H15IN2
Molecular Weight374.23 g/mol
Exact Mass374.03
IUPAC Name2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine
SMILESNC(Cc1ccc(I)cc1)c1nccc2ccccc12
InChIInChI=1S/C17H15IN2/c18-14-7-5-12(6-8-14)11-16(19)17-15-4-2-1-3-13(15)9-10-20-17/h1-10,16H,11,19H2
InChIKeyXAGJQRMFBTXEEZ-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.08
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-(3,4-difluorophenyl)-1-isoquinolin-1-ylethanamine
CID 82909646
2-(3-bromo-5-fluorophenyl)-1-isoquinolin-1-ylethanamine
CID 79700024
2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530048
1-isoquinolin-1-yl-4-phenylbutan-1-amine
CID 63950465
2-cyclopentyl-1-isoquinolin-1-ylethanamine
CID 63950469
1-isoquinolin-1-ylnonan-1-amine
CID 63948030
1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474755
1-isoquinolin-1-yl-3-methylsulfonylpropan-1-amine
CID 63950264
isoquinolin-1-ylmethanediol
CID 57261748
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
isoquinolin-1-yl-(4-propylphenyl)methanamine
CID 63949863

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine (CID 65476898) is 2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine is NC(Cc1ccc(I)cc1)c1nccc2ccccc12.
What is the InChIKey of 2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine?
The InChIKey is XAGJQRMFBTXEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2/c18-14-7-5-12(6-8-14)11-16(19)17-15-4-2-1-3-13(15)9-10-20-17/h1-10,16H,11,19H2.
What are the key properties of 2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine?
2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine has a molecular weight of 374.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine is sourced from PubChem (CID 65476898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).