2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol

C15H14F3NO2 — CID 3397882

IUPAC2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol
SMILESCOc1cccc(CNc2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C15H14F3NO2/c1-21-13-7-2-4-10(14(13)20)9-19-12-6-3-5-11(8-12)15(16,17)18/h2-8,19-20H,9H2,1H3
InChIKeyUETBKYQPBFBOKM-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.03
Rot. Bonds4

About 2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol

2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 3397882) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol
PubChem CID3397882
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol
SMILESCOc1cccc(CNc2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C15H14F3NO2/c1-21-13-7-2-4-10(14(13)20)9-19-12-6-3-5-11(8-12)15(16,17)18/h2-8,19-20H,9H2,1H3
InChIKeyUETBKYQPBFBOKM-UHFFFAOYSA-N
XLogP4.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
(2,3-Dimethoxybenzyl)[4-(1-piperidinyl)phenyl]amine
CID 834331
2-{[(2-Fluorophenyl)amino]methyl}-4-methoxyphenol
CID 4447506
(2,3-Dimethoxybenzyl)(2-methoxy-5-methylphenyl)amine
CID 775256
5-Ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol
CID 59191320
5-Ethyl-2-[2-fluoro-4-(3-hydroxy-propylamino)-phenoxy]-phenol
CID 59191344
N-[1-(2,3-dimethoxyphenyl)but-3-enyl]aniline
CID 2772097
N-(2-hydroxy-5-methoxybenzyl)aniline
CID 13580474
Phenol, 2-((cyclohexylamino)methyl)-6-methoxy-
CID 408379
2-[(4-Fluoro-3-nitroanilino)methyl]-6-methoxybenzenol
CID 677602
1-(2,3-Dimethoxybenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1377324
2-[[2-[(2-Fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenol
CID 1847937

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol (CID 3397882) is 2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol is COc1cccc(CNc2cccc(C(F)(F)F)c2)c1O.
What is the InChIKey of 2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is UETBKYQPBFBOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-21-13-7-2-4-10(14(13)20)9-19-12-6-3-5-11(8-12)15(16,17)18/h2-8,19-20H,9H2,1H3.
What are the key properties of 2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol?
2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol has a molecular weight of 297.28 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[3-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 3397882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).