2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol

C14H21F2NO2 — CID 103897773

IUPAC2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
SMILESCC(C)(CCCO)CNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C14H21F2NO2/c1-14(2,4-3-5-18)9-17-8-10-6-11(15)13(19)12(16)7-10/h6-7,17-19H,3-5,8-9H2,1-2H3
InChIKeyOFHCAQDCYZCNKB-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.56
Rot. Bonds7

About 2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol

2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol (PubChem CID 103897773) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
PubChem CID103897773
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
SMILESCC(C)(CCCO)CNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C14H21F2NO2/c1-14(2,4-3-5-18)9-17-8-10-6-11(15)13(19)12(16)7-10/h6-7,17-19H,3-5,8-9H2,1-2H3
InChIKeyOFHCAQDCYZCNKB-UHFFFAOYSA-N
XLogP2.56
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-fluoro-4-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897533
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 113251429
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 106147039
4,4-dimethyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-1-ol
CID 103897735
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897720
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol (CID 103897773) is 2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol is CC(C)(CCCO)CNCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol?
The InChIKey is OFHCAQDCYZCNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-14(2,4-3-5-18)9-17-8-10-6-11(15)13(19)12(16)7-10/h6-7,17-19H,3-5,8-9H2,1-2H3.
What are the key properties of 2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol?
2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol has a molecular weight of 273.32 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol is sourced from PubChem (CID 103897773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).