2-[(3-fluoroanilino)methyl]-4-methylphenol

C14H14FNO — CID 63323256

IUPAC2-[(3-fluoroanilino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2cccc(F)c2)c1
InChIInChI=1S/C14H14FNO/c1-10-5-6-14(17)11(7-10)9-16-13-4-2-3-12(15)8-13/h2-8,16-17H,9H2,1H3
InChIKeyUGAKEXZDWVATGR-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.45
Rot. Bonds3

About 2-[(3-fluoroanilino)methyl]-4-methylphenol

2-[(3-fluoroanilino)methyl]-4-methylphenol (PubChem CID 63323256) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-[(3-fluoroanilino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(3-fluoroanilino)methyl]-4-methylphenol
PubChem CID63323256
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-[(3-fluoroanilino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2cccc(F)c2)c1
InChIInChI=1S/C14H14FNO/c1-10-5-6-14(17)11(7-10)9-16-13-4-2-3-12(15)8-13/h2-8,16-17H,9H2,1H3
InChIKeyUGAKEXZDWVATGR-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.45
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

2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
2-[(2-fluoroanilino)methyl]-4-methylphenol;2-[(3-fluoroanilino)methyl]-4-methylphenol;2-[(4-fluoroanilino)methyl]-4-methylphenol
CID 167548987
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol
CID 63323664
2-[(3-ethynylanilino)methyl]-4-methylphenol
CID 63322524
2-[(3-methylanilino)methyl]benzene-1,4-diol
CID 82681028
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol
CID 63325074
2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol
CID 79769709
2-fluoro-5-[(2-hydroxy-5-methylphenyl)methylamino]benzoic acid
CID 63324809
4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
CID 63325066

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoroanilino)methyl]-4-methylphenol?
The IUPAC name of 2-[(3-fluoroanilino)methyl]-4-methylphenol (CID 63323256) is 2-[(3-fluoroanilino)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(3-fluoroanilino)methyl]-4-methylphenol?
The canonical SMILES for 2-[(3-fluoroanilino)methyl]-4-methylphenol is Cc1ccc(O)c(CNc2cccc(F)c2)c1.
What is the InChIKey of 2-[(3-fluoroanilino)methyl]-4-methylphenol?
The InChIKey is UGAKEXZDWVATGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10-5-6-14(17)11(7-10)9-16-13-4-2-3-12(15)8-13/h2-8,16-17H,9H2,1H3.
What are the key properties of 2-[(3-fluoroanilino)methyl]-4-methylphenol?
2-[(3-fluoroanilino)methyl]-4-methylphenol has a molecular weight of 231.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoroanilino)methyl]-4-methylphenol is sourced from PubChem (CID 63323256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).