2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol

C14H12F3NO2 — CID 62809836

IUPAC2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
SMILESCOc1cc(CNc2cc(F)c(F)c(F)c2)ccc1O
InChIInChI=1S/C14H12F3NO2/c1-20-13-4-8(2-3-12(13)19)7-18-9-5-10(15)14(17)11(16)6-9/h2-6,18-19H,7H2,1H3
InChIKeyPMDIFPNLFPAMFN-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.43
Rot. Bonds4

About 2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol

2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol (PubChem CID 62809836) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
PubChem CID62809836
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
SMILESCOc1cc(CNc2cc(F)c(F)c(F)c2)ccc1O
InChIInChI=1S/C14H12F3NO2/c1-20-13-4-8(2-3-12(13)19)7-18-9-5-10(15)14(17)11(16)6-9/h2-6,18-19H,7H2,1H3
InChIKeyPMDIFPNLFPAMFN-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dichloro-4-fluoroanilino)methyl]-2-methoxyphenol
CID 107572501
4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 114254373
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
CID 39371639
2-[4-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43722167
4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
CID 63333437
1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113161
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
methyl 4-[(3,4,5-trifluoroanilino)methyl]benzoate
CID 62809754
3-[(4-hydroxy-3-methoxyphenyl)methylamino]benzoic acid
CID 43217223

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol (CID 62809836) is 2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol is COc1cc(CNc2cc(F)c(F)c(F)c2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol?
The InChIKey is PMDIFPNLFPAMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-20-13-4-8(2-3-12(13)19)7-18-9-5-10(15)14(17)11(16)6-9/h2-6,18-19H,7H2,1H3.
What are the key properties of 2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol?
2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol has a molecular weight of 283.25 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol is sourced from PubChem (CID 62809836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).