2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine

C17H17IN2O — CID 154204464

IUPAC2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(OCc3ccc(I)cc3)cc12
InChIInChI=1S/C17H17IN2O/c18-14-3-1-12(2-4-14)11-21-15-5-6-17-16(9-15)13(7-8-19)10-20-17/h1-6,9-10,20H,7-8,11,19H2
InChIKeyXHFCDQVDWXUREU-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.85
Rot. Bonds5

About 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine

2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine (PubChem CID 154204464) has the molecular formula C17H17IN2O and a molecular weight of 392.24 g/mol. Its IUPAC name is 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine
PubChem CID154204464
Molecular FormulaC17H17IN2O
Molecular Weight392.24 g/mol
Exact Mass392.04
IUPAC Name2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(OCc3ccc(I)cc3)cc12
InChIInChI=1S/C17H17IN2O/c18-14-3-1-12(2-4-14)11-21-15-5-6-17-16(9-15)13(7-8-19)10-20-17/h1-6,9-10,20H,7-8,11,19H2
InChIKeyXHFCDQVDWXUREU-UHFFFAOYSA-N
XLogP3.85
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
amino 4-[5-[(4-cyanophenyl)methoxy]-1H-indol-3-yl]butanoate
CID 175284289
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
CID 57018326
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine (CID 154204464) is 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(OCc3ccc(I)cc3)cc12.
What is the InChIKey of 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine?
The InChIKey is XHFCDQVDWXUREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O/c18-14-3-1-12(2-4-14)11-21-15-5-6-17-16(9-15)13(7-8-19)10-20-17/h1-6,9-10,20H,7-8,11,19H2.
What are the key properties of 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine?
2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine has a molecular weight of 392.24 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 154204464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).