1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol

C16H17FINO2 — CID 79759481

IUPAC1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNc2ccc(F)cc2I)c1
InChIInChI=1S/C16H17FINO2/c1-11-3-2-4-14(7-11)21-10-13(20)9-19-16-6-5-12(17)8-15(16)18/h2-8,13,19-20H,9-10H2,1H3
InChIKeyYUNWJWFESPLIKT-UHFFFAOYSA-N
MW401.22 g/mol
LogP3.59
Rot. Bonds6

About 1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol

1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol (PubChem CID 79759481) has the molecular formula C16H17FINO2 and a molecular weight of 401.22 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
PubChem CID79759481
Molecular FormulaC16H17FINO2
Molecular Weight401.22 g/mol
Exact Mass401.03
IUPAC Name1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNc2ccc(F)cc2I)c1
InChIInChI=1S/C16H17FINO2/c1-11-3-2-4-14(7-11)21-10-13(20)9-19-16-6-5-12(17)8-15(16)18/h2-8,13,19-20H,9-10H2,1H3
InChIKeyYUNWJWFESPLIKT-UHFFFAOYSA-N
XLogP3.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 53.59
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

1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972
1-(4-fluoro-2-iodoanilino)-3-(2-methylphenoxy)propan-2-ol
CID 79759629
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-(3-methylphenoxy)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644730
1-(4-bromo-2-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60897286
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol
CID 60899861
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
1-(2-bromo-5-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 81280088
1-(5-bromo-2-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 63492124

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol (CID 79759481) is 1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNc2ccc(F)cc2I)c1.
What is the InChIKey of 1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is YUNWJWFESPLIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FINO2/c1-11-3-2-4-14(7-11)21-10-13(20)9-19-16-6-5-12(17)8-15(16)18/h2-8,13,19-20H,9-10H2,1H3.
What are the key properties of 1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol?
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 401.22 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 79759481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).