4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol

C14H13ClFNO2 — CID 104816016

IUPAC4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
SMILESCOc1cccc(Cl)c1CNc1ccc(O)c(F)c1
InChIInChI=1S/C14H13ClFNO2/c1-19-14-4-2-3-11(15)10(14)8-17-9-5-6-13(18)12(16)7-9/h2-7,17-18H,8H2,1H3
InChIKeyWDQILBIIRRLIFR-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.81
Rot. Bonds4

About 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol

4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol (PubChem CID 104816016) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
PubChem CID104816016
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
SMILESCOc1cccc(Cl)c1CNc1ccc(O)c(F)c1
InChIInChI=1S/C14H13ClFNO2/c1-19-14-4-2-3-11(15)10(14)8-17-9-5-6-13(18)12(16)7-9/h2-7,17-18H,8H2,1H3
InChIKeyWDQILBIIRRLIFR-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 103292573
2-chloro-6-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 112553741
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
methyl 3-[(2-chloro-6-methoxyphenyl)methylamino]benzoate
CID 115884786
2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid
CID 103293324
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103291747
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791660

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol?
The IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol (CID 104816016) is 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol.
What is the SMILES notation for 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol?
The canonical SMILES for 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol is COc1cccc(Cl)c1CNc1ccc(O)c(F)c1.
What is the InChIKey of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol?
The InChIKey is WDQILBIIRRLIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-19-14-4-2-3-11(15)10(14)8-17-9-5-6-13(18)12(16)7-9/h2-7,17-18H,8H2,1H3.
What are the key properties of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol?
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol has a molecular weight of 281.71 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol is sourced from PubChem (CID 104816016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).