2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol

C15H15FINO2 — CID 81134030

IUPAC2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2ccc(F)cc2I)c1
InChIInChI=1S/C15H15FINO2/c1-20-12-4-2-3-10(7-12)15(19)9-18-14-6-5-11(16)8-13(14)17/h2-8,15,18-19H,9H2,1H3
InChIKeyJBRBEHQDUVUWKT-UHFFFAOYSA-N
MW387.19 g/mol
LogP3.58
Rot. Bonds5

About 2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol

2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol (PubChem CID 81134030) has the molecular formula C15H15FINO2 and a molecular weight of 387.19 g/mol. Its IUPAC name is 2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
PubChem CID81134030
Molecular FormulaC15H15FINO2
Molecular Weight387.19 g/mol
Exact Mass387.01
IUPAC Name2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2ccc(F)cc2I)c1
InChIInChI=1S/C15H15FINO2/c1-20-12-4-2-3-10(7-12)15(19)9-18-14-6-5-11(16)8-13(14)17/h2-8,15,18-19H,9H2,1H3
InChIKeyJBRBEHQDUVUWKT-UHFFFAOYSA-N
XLogP3.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.19
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483
2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134599
1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
CID 79769099
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
CID 133372605
2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol
CID 107611576
2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
CID 111382295
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
methyl 3-(4-fluoro-2-iodoanilino)-2-phenylpropanoate
CID 79759348
2-(5-bromo-2-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81135103
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol (CID 81134030) is 2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNc2ccc(F)cc2I)c1.
What is the InChIKey of 2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol?
The InChIKey is JBRBEHQDUVUWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FINO2/c1-20-12-4-2-3-10(7-12)15(19)9-18-14-6-5-11(16)8-13(14)17/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol?
2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol has a molecular weight of 387.19 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).