2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol

C11H16FNO — CID 107693926

IUPAC2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(C)Cc1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO/c1-8(2)13(3)7-9-4-5-11(14)10(12)6-9/h4-6,8,14H,7H2,1-3H3
InChIKeyGNSQWTDZZNRXOI-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.37
Rot. Bonds3

About 2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol

2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol (PubChem CID 107693926) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol
PubChem CID107693926
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(C)Cc1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO/c1-8(2)13(3)7-9-4-5-11(14)10(12)6-9/h4-6,8,14H,7H2,1-3H3
InChIKeyGNSQWTDZZNRXOI-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol
CID 107693937
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
CID 107694130
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 107692120
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
2-[(3,4-difluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137602
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 107685376
2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
CID 82976577
1-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropan-2-amine
CID 104555121
2-fluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]benzoic acid
CID 106699088
2-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol
CID 84765888
N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-methylpropan-2-amine
CID 20687175

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol (CID 107693926) is 2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol is CC(C)N(C)Cc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is GNSQWTDZZNRXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(2)13(3)7-9-4-5-11(14)10(12)6-9/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol?
2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol has a molecular weight of 197.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 107693926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).