2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol

C14H21F2NO3 — CID 115680060

IUPAC2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
SMILESCOCCOCCCCNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C14H21F2NO3/c1-19-6-7-20-5-3-2-4-17-10-11-8-12(15)14(18)13(16)9-11/h8-9,17-18H,2-7,10H2,1H3
InChIKeyCLOXKLHLFRPJHX-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.20
Rot. Bonds10

About 2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol

2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol (PubChem CID 115680060) has the molecular formula C14H21F2NO3 and a molecular weight of 289.32 g/mol. Its IUPAC name is 2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
PubChem CID115680060
Molecular FormulaC14H21F2NO3
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
SMILESCOCCOCCCCNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C14H21F2NO3/c1-19-6-7-20-5-3-2-4-17-10-11-8-12(15)14(18)13(16)9-11/h8-9,17-18H,2-7,10H2,1H3
InChIKeyCLOXKLHLFRPJHX-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-butoxypropylamino)methyl]-2,6-difluorophenol
CID 115680041
2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115671182
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115600224
4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide
CID 79891294
N-[(3-fluoro-4-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 103654079
2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol
CID 113251415
2,6-difluoro-4-[(3-methylsulfonylpropylamino)methyl]phenol
CID 79831222
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115660085
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol (CID 115680060) is 2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol is COCCOCCCCNCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol?
The InChIKey is CLOXKLHLFRPJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO3/c1-19-6-7-20-5-3-2-4-17-10-11-8-12(15)14(18)13(16)9-11/h8-9,17-18H,2-7,10H2,1H3.
What are the key properties of 2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol?
2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol has a molecular weight of 289.32 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol is sourced from PubChem (CID 115680060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).