2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol

C15H15F2NO2 — CID 62222408

IUPAC2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCc2ccc(F)cc2F)c1
InChIInChI=1S/C15H15F2NO2/c1-20-13-4-5-15(19)11(6-13)9-18-8-10-2-3-12(16)7-14(10)17/h2-7,18-19H,8-9H2,1H3
InChIKeyZHHJPCGTTMDODC-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.97
Rot. Bonds5

About 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol

2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol (PubChem CID 62222408) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
PubChem CID62222408
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCc2ccc(F)cc2F)c1
InChIInChI=1S/C15H15F2NO2/c1-20-13-4-5-15(19)11(6-13)9-18-8-10-2-3-12(16)7-14(10)17/h2-7,18-19H,8-9H2,1H3
InChIKeyZHHJPCGTTMDODC-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
CID 63325573
2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
CID 28974217
2-[(but-2-ynylamino)methyl]-4-methoxyphenol
CID 115908793
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
CID 115627586
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115967968
4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79353071
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 60957867
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol (CID 62222408) is 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol is COc1ccc(O)c(CNCc2ccc(F)cc2F)c1.
What is the InChIKey of 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol?
The InChIKey is ZHHJPCGTTMDODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-20-13-4-5-15(19)11(6-13)9-18-8-10-2-3-12(16)7-14(10)17/h2-7,18-19H,8-9H2,1H3.
What are the key properties of 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol?
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol has a molecular weight of 279.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol is sourced from PubChem (CID 62222408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).