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

C15H23F2NO — CID 115566997

IUPAC2,6-difluoro-4-[(octylamino)methyl]phenol
SMILESCCCCCCCCNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C15H23F2NO/c1-2-3-4-5-6-7-8-18-11-12-9-13(16)15(19)14(17)10-12/h9-10,18-19H,2-8,11H2,1H3
InChIKeyFNVAEWOWYWEQST-UHFFFAOYSA-N
MW271.35 g/mol
LogP4.12
Rot. Bonds9

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

2,6-difluoro-4-[(octylamino)methyl]phenol (PubChem CID 115566997) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 2,6-difluoro-4-[(octylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[(octylamino)methyl]phenol
PubChem CID115566997
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name2,6-difluoro-4-[(octylamino)methyl]phenol
SMILESCCCCCCCCNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C15H23F2NO/c1-2-3-4-5-6-7-8-18-11-12-9-13(16)15(19)14(17)10-12/h9-10,18-19H,2-8,11H2,1H3
InChIKeyFNVAEWOWYWEQST-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-4-[(octylamino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-butoxypropylamino)methyl]-2,6-difluorophenol
CID 115680041
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
2-[(decylamino)methyl]-4,6-difluorophenol
CID 143926672
2,6-difluoro-4-[(3-methylsulfonylpropylamino)methyl]phenol
CID 79831222
2,6-bis(2,2-dimethylpropyl)-4-[(hexylamino)methyl]phenol
CID 69493299
2,6-difluoro-4-[(3-methylsulfinylpropylamino)methyl]phenol
CID 113251430
N-[(4-bromo-3-fluorophenyl)methyl]hexan-1-amine
CID 81436257
2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115680060
4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide
CID 79891294
3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]propane-1-sulfonamide
CID 79892122
4-[(nonadecylamino)methyl]phenol
CID 70039599
N-[[3,5-bis(butylaminomethyl)phenyl]methyl]butan-1-amine
CID 10592779

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(octylamino)methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[(octylamino)methyl]phenol (CID 115566997) is 2,6-difluoro-4-[(octylamino)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[(octylamino)methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[(octylamino)methyl]phenol is CCCCCCCCNCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[(octylamino)methyl]phenol?
The InChIKey is FNVAEWOWYWEQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-2-3-4-5-6-7-8-18-11-12-9-13(16)15(19)14(17)10-12/h9-10,18-19H,2-8,11H2,1H3.
What are the key properties of 2,6-difluoro-4-[(octylamino)methyl]phenol?
2,6-difluoro-4-[(octylamino)methyl]phenol has a molecular weight of 271.35 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(octylamino)methyl]phenol is sourced from PubChem (CID 115566997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).