4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol

C15H16F2N2O — CID 79891482

IUPAC4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol
SMILESCN(C)c1ccc(NCc2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C15H16F2N2O/c1-19(2)12-5-3-11(4-6-12)18-9-10-7-13(16)15(20)14(17)8-10/h3-8,18,20H,9H2,1-2H3
InChIKeyZURRAUNHIAMYKU-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.35
Rot. Bonds4

About 4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol

4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol (PubChem CID 79891482) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol
PubChem CID79891482
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol
SMILESCN(C)c1ccc(NCc2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C15H16F2N2O/c1-19(2)12-5-3-11(4-6-12)18-9-10-7-13(16)15(20)14(17)8-10/h3-8,18,20H,9H2,1-2H3
InChIKeyZURRAUNHIAMYKU-UHFFFAOYSA-N
XLogP3.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine
CID 63050848
2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol
CID 79891958
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103946844
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
CID 39371639
4-[(1,3-benzodioxol-5-ylamino)methyl]-2,6-difluorophenol
CID 79886832
2,6-difluoro-4-[(3-methylsulfanylanilino)methyl]phenol
CID 79831774
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 79891427
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
CID 79886052
2,6-difluoro-4-[(4-fluoro-3-nitroanilino)methyl]phenol
CID 79882745

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol?
The IUPAC name of 4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol (CID 79891482) is 4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol is CN(C)c1ccc(NCc2cc(F)c(O)c(F)c2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol?
The InChIKey is ZURRAUNHIAMYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-19(2)12-5-3-11(4-6-12)18-9-10-7-13(16)15(20)14(17)8-10/h3-8,18,20H,9H2,1-2H3.
What are the key properties of 4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol?
4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol has a molecular weight of 278.30 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol is sourced from PubChem (CID 79891482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).