2-[[3-(trifluoromethyl)anilino]methyl]phenol

C14H12F3NO — CID 674114

IUPAC2-[[3-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)19/h1-8,18-19H,9H2
InChIKeyADIMZZZULTXUEJ-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.02
Rot. Bonds3

About 2-[[3-(trifluoromethyl)anilino]methyl]phenol

2-[[3-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 674114) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)anilino]methyl]phenol
PubChem CID674114
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-[[3-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)19/h1-8,18-19H,9H2
InChIKeyADIMZZZULTXUEJ-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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-(Benzylamino)phenol
CID 7637
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
4-Amino-2-((Diethylamino)Methyl)Phenol
CID 408991
[11C]4-N-methylamino-4-hydroxystilbene
CID 5702297
4-(4-(Methylamino)styryl)phenol
CID 10013901
2-(Anilinomethyl)phenol
CID 220804
2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
Alpha-(4-chloroanilino)-ortho-cresol
CID 581438
2-(((4-Fluorophenyl)Amino)Methyl)Phenol
CID 855073
2-{[(2,4-Dimethylphenyl)amino]methyl}phenol
CID 292419
Phenol, 2,2'-[1,2-phenylenebis(iminomethylene)]bis-
CID 6102658

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 2-[[3-(trifluoromethyl)anilino]methyl]phenol (CID 674114) is 2-[[3-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 2-[[3-(trifluoromethyl)anilino]methyl]phenol is Oc1ccccc1CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is ADIMZZZULTXUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)19/h1-8,18-19H,9H2.
What are the key properties of 2-[[3-(trifluoromethyl)anilino]methyl]phenol?
2-[[3-(trifluoromethyl)anilino]methyl]phenol has a molecular weight of 267.25 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 674114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).