2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol

C14H13FINO2 — CID 4279006

IUPAC2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol
SMILESCOc1cc(I)cc(CNc2ccc(F)cc2)c1O
InChIInChI=1S/C14H13FINO2/c1-19-13-7-11(16)6-9(14(13)18)8-17-12-4-2-10(15)3-5-12/h2-7,17-18H,8H2,1H3
InChIKeySWKPRUQVEGAPAW-UHFFFAOYSA-N
MW373.17 g/mol
LogP3.76
Rot. Bonds4

About 2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol

2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol (PubChem CID 4279006) has the molecular formula C14H13FINO2 and a molecular weight of 373.17 g/mol. Its IUPAC name is 2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol.

Molecular Properties

Compound Name2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol
PubChem CID4279006
Molecular FormulaC14H13FINO2
Molecular Weight373.17 g/mol
Exact Mass373.00
IUPAC Name2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol
SMILESCOc1cc(I)cc(CNc2ccc(F)cc2)c1O
InChIInChI=1S/C14H13FINO2/c1-19-13-7-11(16)6-9(14(13)18)8-17-12-4-2-10(15)3-5-12/h2-7,17-18H,8H2,1H3
InChIKeySWKPRUQVEGAPAW-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
2-[(3-bromo-4-fluoroanilino)methyl]-4-chloro-6-methoxyphenol
CID 104775725
4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
CID 104645918
4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol
CID 107272138
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-fluoroaniline
CID 66540399
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-fluoroaniline
CID 66540256
4-[(5-fluoro-2-methoxyphenyl)methylamino]-N-hydroxybenzamide
CID 134492118
2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
CID 43616982
2-[[4-(difluoromethylsulfanyl)anilino]methyl]-6-methoxyphenol
CID 43673138
2-chloro-6-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 112553741

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol?
The IUPAC name of 2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol (CID 4279006) is 2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol.
What is the SMILES notation for 2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol?
The canonical SMILES for 2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol is COc1cc(I)cc(CNc2ccc(F)cc2)c1O.
What is the InChIKey of 2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol?
The InChIKey is SWKPRUQVEGAPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO2/c1-19-13-7-11(16)6-9(14(13)18)8-17-12-4-2-10(15)3-5-12/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol?
2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol has a molecular weight of 373.17 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol is sourced from PubChem (CID 4279006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).