4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol

C15H15ClFNO3 — CID 104645918

IUPAC4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(F)ccc1NCc1cc(Cl)cc(OC)c1O
InChIInChI=1S/C15H15ClFNO3/c1-20-13-7-11(17)3-4-12(13)18-8-9-5-10(16)6-14(21-2)15(9)19/h3-7,18-19H,8H2,1-2H3
InChIKeyNVWVJYDRHUEESF-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.81
Rot. Bonds5

About 4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol

4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol (PubChem CID 104645918) has the molecular formula C15H15ClFNO3 and a molecular weight of 311.74 g/mol. Its IUPAC name is 4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
PubChem CID104645918
Molecular FormulaC15H15ClFNO3
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(F)ccc1NCc1cc(Cl)cc(OC)c1O
InChIInChI=1S/C15H15ClFNO3/c1-20-13-7-11(17)3-4-12(13)18-8-9-5-10(16)6-14(21-2)15(9)19/h3-7,18-19H,8H2,1-2H3
InChIKeyNVWVJYDRHUEESF-UHFFFAOYSA-N
XLogP3.81
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 104663974
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
4-chloro-2-methoxy-6-[(2,4,5-trichloroanilino)methyl]phenol
CID 104663741
2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
CID 29274459
4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol
CID 104663758
2-[(3-bromo-4-fluoroanilino)methyl]-4-chloro-6-methoxyphenol
CID 104775725
2,4-dichloro-6-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 29079835
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol
CID 107272138
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
4-chloro-2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methoxyphenol
CID 104663938
2,4-dichloro-6-[(2-chloro-5-fluoroanilino)methyl]phenol
CID 107527486

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol (CID 104645918) is 4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol is COc1cc(F)ccc1NCc1cc(Cl)cc(OC)c1O.
What is the InChIKey of 4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol?
The InChIKey is NVWVJYDRHUEESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3/c1-20-13-7-11(17)3-4-12(13)18-8-9-5-10(16)6-14(21-2)15(9)19/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol?
4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol has a molecular weight of 311.74 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 104645918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).