2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine

C15H16INO — CID 65477894

IUPAC2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(N)Cc1ccc(I)cc1
InChIInChI=1S/C15H16INO/c1-18-15-5-3-2-4-13(15)14(17)10-11-6-8-12(16)9-7-11/h2-9,14H,10,17H2,1H3
InChIKeyHVNFXVJCRBZSSF-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine

2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine (PubChem CID 65477894) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine
PubChem CID65477894
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(N)Cc1ccc(I)cc1
InChIInChI=1S/C15H16INO/c1-18-15-5-3-2-4-13(15)14(17)10-11-6-8-12(16)9-7-11/h2-9,14H,10,17H2,1H3
InChIKeyHVNFXVJCRBZSSF-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.54
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-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine
CID 115864418
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61077725
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine
CID 82807174
2-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 61079391
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
[2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105310239

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine (CID 65477894) is 2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(N)Cc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine?
The InChIKey is HVNFXVJCRBZSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-18-15-5-3-2-4-13(15)14(17)10-11-6-8-12(16)9-7-11/h2-9,14H,10,17H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine?
2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine has a molecular weight of 353.20 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 65477894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).