2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol

C14H12F3NO — CID 112606802

IUPAC2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol
SMILESCc1cccc(CNc2cc(F)cc(F)c2F)c1O
InChIInChI=1S/C14H12F3NO/c1-8-3-2-4-9(14(8)19)7-18-12-6-10(15)5-11(16)13(12)17/h2-6,18-19H,7H2,1H3
InChIKeyNMWGFUYZVIQDFE-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.73
Rot. Bonds3

About 2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol

2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol (PubChem CID 112606802) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol
PubChem CID112606802
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol
SMILESCc1cccc(CNc2cc(F)cc(F)c2F)c1O
InChIInChI=1S/C14H12F3NO/c1-8-3-2-4-9(14(8)19)7-18-12-6-10(15)5-11(16)13(12)17/h2-6,18-19H,7H2,1H3
InChIKeyNMWGFUYZVIQDFE-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 62810492
2-[(2-bromo-5-fluoroanilino)methyl]-6-methylphenol
CID 107632779
2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol
CID 114258304
2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol
CID 112606277
2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline
CID 63476657
2-[(5-fluoro-2-nitroanilino)methyl]-6-methylphenol
CID 115951747
2-[(3-chloro-5-fluoroanilino)methyl]-6-methylphenol
CID 113351702
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690
2-[(2,4-difluoro-5-nitroanilino)methyl]-6-methylphenol
CID 115951355
methyl 4-fluoro-3-[(2-hydroxy-3-methylphenyl)methylamino]benzoate
CID 115951164
2-[(4-chloro-2-iodoanilino)methyl]-6-methylphenol
CID 107631732
2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 115951717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol?
The IUPAC name of 2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol (CID 112606802) is 2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol.
What is the SMILES notation for 2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol?
The canonical SMILES for 2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol is Cc1cccc(CNc2cc(F)cc(F)c2F)c1O.
What is the InChIKey of 2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol?
The InChIKey is NMWGFUYZVIQDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-8-3-2-4-9(14(8)19)7-18-12-6-10(15)5-11(16)13(12)17/h2-6,18-19H,7H2,1H3.
What are the key properties of 2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol?
2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol has a molecular weight of 267.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol is sourced from PubChem (CID 112606802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).