2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol

C14H13FINO — CID 79769709

IUPAC2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2ccc(F)cc2I)c1
InChIInChI=1S/C14H13FINO/c1-9-2-5-14(18)10(6-9)8-17-13-4-3-11(15)7-12(13)16/h2-7,17-18H,8H2,1H3
InChIKeyZGOPWLAJNKFROA-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.06
Rot. Bonds3

About 2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol

2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol (PubChem CID 79769709) has the molecular formula C14H13FINO and a molecular weight of 357.17 g/mol. Its IUPAC name is 2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol
PubChem CID79769709
Molecular FormulaC14H13FINO
Molecular Weight357.17 g/mol
Exact Mass357.00
IUPAC Name2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2ccc(F)cc2I)c1
InChIInChI=1S/C14H13FINO/c1-9-2-5-14(18)10(6-9)8-17-13-4-3-11(15)7-12(13)16/h2-7,17-18H,8H2,1H3
InChIKeyZGOPWLAJNKFROA-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

N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768890
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
CID 63325573
4-fluoro-2-iodo-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 79769306
2-bromo-4-[(4-fluoro-2-iodoanilino)methyl]phenol
CID 79769373
4-fluoro-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 79768914
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
2-[(2-fluoroanilino)methyl]-4-methylphenol;2-[(3-fluoroanilino)methyl]-4-methylphenol;2-[(4-fluoroanilino)methyl]-4-methylphenol
CID 167548987
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324433
N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769241

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol?
The IUPAC name of 2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol (CID 79769709) is 2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol?
The canonical SMILES for 2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol is Cc1ccc(O)c(CNc2ccc(F)cc2I)c1.
What is the InChIKey of 2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol?
The InChIKey is ZGOPWLAJNKFROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO/c1-9-2-5-14(18)10(6-9)8-17-13-4-3-11(15)7-12(13)16/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol?
2-[(4-fluoro-2-iodoanilino)methyl]-4-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-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol is sourced from PubChem (CID 79769709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).