4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol

C15H16FNO3 — CID 107685258

IUPAC4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol
SMILESCOc1ccc(OC)c(NCc2ccc(O)c(F)c2)c1
InChIInChI=1S/C15H16FNO3/c1-19-11-4-6-15(20-2)13(8-11)17-9-10-3-5-14(18)12(16)7-10/h3-8,17-18H,9H2,1-2H3
InChIKeyUMHQBKJFYDUMMT-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.16
Rot. Bonds5

About 4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol

4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol (PubChem CID 107685258) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol
PubChem CID107685258
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol
SMILESCOc1ccc(OC)c(NCc2ccc(O)c(F)c2)c1
InChIInChI=1S/C15H16FNO3/c1-19-11-4-6-15(20-2)13(8-11)17-9-10-3-5-14(18)12(16)7-10/h3-8,17-18H,9H2,1-2H3
InChIKeyUMHQBKJFYDUMMT-UHFFFAOYSA-N
XLogP3.16
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
CID 28932279
2-fluoro-4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]phenol
CID 133340541
4-[(3-fluoro-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107686003
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 28543653
N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
CID 54797069
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol
CID 107685652
N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 62122449
2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
CID 62809836
2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol
CID 63046876
2-methoxy-5-[(2,3,5-trifluoroanilino)methyl]phenol
CID 62810508
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol?
The IUPAC name of 4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol (CID 107685258) is 4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol is COc1ccc(OC)c(NCc2ccc(O)c(F)c2)c1.
What is the InChIKey of 4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol?
The InChIKey is UMHQBKJFYDUMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-19-11-4-6-15(20-2)13(8-11)17-9-10-3-5-14(18)12(16)7-10/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol?
4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol has a molecular weight of 277.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol is sourced from PubChem (CID 107685258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).