2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol

C14H13F2NO — CID 112606277

IUPAC2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol
SMILESCc1ccc(F)cc1NCc1cccc(F)c1O
InChIInChI=1S/C14H13F2NO/c1-9-5-6-11(15)7-13(9)17-8-10-3-2-4-12(16)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyQBXQJTXSUZJVAA-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.59
Rot. Bonds3

About 2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol

2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol (PubChem CID 112606277) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol
PubChem CID112606277
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol
SMILESCc1ccc(F)cc1NCc1cccc(F)c1O
InChIInChI=1S/C14H13F2NO/c1-9-5-6-11(15)7-13(9)17-8-10-3-2-4-12(16)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyQBXQJTXSUZJVAA-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-fluoro-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952997
2-[(2-bromo-5-fluoroanilino)methyl]-6-methylphenol
CID 107632779
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107
2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 112606802
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
4-[(3-fluoro-2-hydroxyphenyl)methylamino]-3-methylbenzamide
CID 115951248
2-[(5-fluoro-2-nitroanilino)methyl]-6-methylphenol
CID 115951747
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol
CID 114258304
2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 115951717
2-(5-fluoro-2-methylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31667661
2-bromo-6-[(2,5-dimethylanilino)methyl]phenol
CID 61390137

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol (CID 112606277) is 2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol is Cc1ccc(F)cc1NCc1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol?
The InChIKey is QBXQJTXSUZJVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-5-6-11(15)7-13(9)17-8-10-3-2-4-12(16)14(10)18/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol?
2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol has a molecular weight of 249.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol is sourced from PubChem (CID 112606277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).