2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol

C14H13FINO — CID 114258304

IUPAC2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol
SMILESCc1cccc(CNc2cccc(F)c2I)c1O
InChIInChI=1S/C14H13FINO/c1-9-4-2-5-10(14(9)18)8-17-12-7-3-6-11(15)13(12)16/h2-7,17-18H,8H2,1H3
InChIKeyFOSYBKGOYFMXMZ-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.06
Rot. Bonds3

About 2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol

2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol (PubChem CID 114258304) has the molecular formula C14H13FINO and a molecular weight of 357.17 g/mol. Its IUPAC name is 2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol
PubChem CID114258304
Molecular FormulaC14H13FINO
Molecular Weight357.17 g/mol
Exact Mass357.00
IUPAC Name2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol
SMILESCc1cccc(CNc2cccc(F)c2I)c1O
InChIInChI=1S/C14H13FINO/c1-9-4-2-5-10(14(9)18)8-17-12-7-3-6-11(15)13(12)16/h2-7,17-18H,8H2,1H3
InChIKeyFOSYBKGOYFMXMZ-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 112606802
2-[(4-chloro-2-iodoanilino)methyl]-6-methylphenol
CID 107631732
2-[(2-bromo-5-fluoroanilino)methyl]-6-methylphenol
CID 107632779
3-[(2-methylanilino)methyl]benzene-1,2-diol
CID 61320102
2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol
CID 112606277
methyl 4-fluoro-3-[(2-hydroxy-3-methylphenyl)methylamino]benzoate
CID 115951164
2-[(2,4-difluoro-5-nitroanilino)methyl]-6-methylphenol
CID 115951355
2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 115951717
2-[(5-fluoro-2-nitroanilino)methyl]-6-methylphenol
CID 115951747
2-[(2-methylanilino)methyl]phenol
CID 3240149
2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 79512483
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol?
The IUPAC name of 2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol (CID 114258304) is 2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol?
The canonical SMILES for 2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol is Cc1cccc(CNc2cccc(F)c2I)c1O.
What is the InChIKey of 2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol?
The InChIKey is FOSYBKGOYFMXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO/c1-9-4-2-5-10(14(9)18)8-17-12-7-3-6-11(15)13(12)16/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol?
2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol has a molecular weight of 357.17 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol is sourced from PubChem (CID 114258304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).