1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol

C22H22INO2 — CID 23647930

IUPAC1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1OCc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C22H22INO2/c23-20-11-6-10-18(13-20)21(25)15-24-14-19-9-4-5-12-22(19)26-16-17-7-2-1-3-8-17/h1-13,21,24-25H,14-16H2
InChIKeyIFXGTDNEENMFTO-UHFFFAOYSA-N
MW459.33 g/mol
LogP4.69
Rot. Bonds8

About 1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol

1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol (PubChem CID 23647930) has the molecular formula C22H22INO2 and a molecular weight of 459.33 g/mol. Its IUPAC name is 1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
PubChem CID23647930
Molecular FormulaC22H22INO2
Molecular Weight459.33 g/mol
Exact Mass459.07
IUPAC Name1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1OCc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C22H22INO2/c23-20-11-6-10-18(13-20)21(25)15-24-14-19-9-4-5-12-22(19)26-16-17-7-2-1-3-8-17/h1-13,21,24-25H,14-16H2
InChIKeyIFXGTDNEENMFTO-UHFFFAOYSA-N
XLogP4.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.33
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol (CID 23647930) is 1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol is OC(CNCc1ccccc1OCc1ccccc1)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
The InChIKey is IFXGTDNEENMFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22INO2/c23-20-11-6-10-18(13-20)21(25)15-24-14-19-9-4-5-12-22(19)26-16-17-7-2-1-3-8-17/h1-13,21,24-25H,14-16H2.
What are the key properties of 1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol?
1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol has a molecular weight of 459.33 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-2-[(2-phenylmethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 23647930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).