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

C15H15F2NO — CID 63325573

IUPAC2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCc2ccc(F)cc2F)c1
InChIInChI=1S/C15H15F2NO/c1-10-2-5-15(19)12(6-10)9-18-8-11-3-4-13(16)7-14(11)17/h2-7,18-19H,8-9H2,1H3
InChIKeyBQESTDAYMIQREM-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.27
Rot. Bonds4

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

2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol (PubChem CID 63325573) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
PubChem CID63325573
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCc2ccc(F)cc2F)c1
InChIInChI=1S/C15H15F2NO/c1-10-2-5-15(19)12(6-10)9-18-8-11-3-4-13(16)7-14(11)17/h2-7,18-19H,8-9H2,1H3
InChIKeyBQESTDAYMIQREM-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324433
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324955
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylphenol
CID 111449320
2-[(4-fluoro-2-iodoanilino)methyl]-4-methylphenol
CID 79769709
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
CID 63323686
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol (CID 63325573) is 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol is Cc1ccc(O)c(CNCc2ccc(F)cc2F)c1.
What is the InChIKey of 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol?
The InChIKey is BQESTDAYMIQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-2-5-15(19)12(6-10)9-18-8-11-3-4-13(16)7-14(11)17/h2-7,18-19H,8-9H2,1H3.
What are the key properties of 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol?
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol has a molecular weight of 263.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol is sourced from PubChem (CID 63325573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).