5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol

C15H15ClFNO2 — CID 62539087

IUPAC5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCc2ccc(F)c(Cl)c2)cc1O
InChIInChI=1S/C15H15ClFNO2/c1-20-15-5-3-11(7-14(15)19)9-18-8-10-2-4-13(17)12(16)6-10/h2-7,18-19H,8-9H2,1H3
InChIKeyNDIFGUZDKLUGMV-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.48
Rot. Bonds5

About 5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol

5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol (PubChem CID 62539087) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol
PubChem CID62539087
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCc2ccc(F)c(Cl)c2)cc1O
InChIInChI=1S/C15H15ClFNO2/c1-20-15-5-3-11(7-14(15)19)9-18-8-10-2-4-13(17)12(16)6-10/h2-7,18-19H,8-9H2,1H3
InChIKeyNDIFGUZDKLUGMV-UHFFFAOYSA-N
XLogP3.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol (CID 62539087) is 5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol is COc1ccc(CNCc2ccc(F)c(Cl)c2)cc1O.
What is the InChIKey of 5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol?
The InChIKey is NDIFGUZDKLUGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-20-15-5-3-11(7-14(15)19)9-18-8-10-2-4-13(17)12(16)6-10/h2-7,18-19H,8-9H2,1H3.
What are the key properties of 5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol?
5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol has a molecular weight of 295.74 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 62539087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).