4-(2-ethylbutylamino)-2-fluorophenol

C12H18FNO — CID 64782965

IUPAC4-(2-ethylbutylamino)-2-fluorophenol
SMILESCCC(CC)CNc1ccc(O)c(F)c1
InChIInChI=1S/C12H18FNO/c1-3-9(4-2)8-14-10-5-6-12(15)11(13)7-10/h5-7,9,14-15H,3-4,8H2,1-2H3
InChIKeyLHDIHLXIXYEROK-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.38
Rot. Bonds5

About 4-(2-ethylbutylamino)-2-fluorophenol

4-(2-ethylbutylamino)-2-fluorophenol (PubChem CID 64782965) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(2-ethylbutylamino)-2-fluorophenol.

Molecular Properties

Compound Name4-(2-ethylbutylamino)-2-fluorophenol
PubChem CID64782965
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-(2-ethylbutylamino)-2-fluorophenol
SMILESCCC(CC)CNc1ccc(O)c(F)c1
InChIInChI=1S/C12H18FNO/c1-3-9(4-2)8-14-10-5-6-12(15)11(13)7-10/h5-7,9,14-15H,3-4,8H2,1-2H3
InChIKeyLHDIHLXIXYEROK-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-2-fluorophenol
CID 64793889
2-fluoro-4-(propylamino)phenol
CID 64780527
4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679319
2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol
CID 107876208
methyl 5-(2-ethylbutylamino)-2-fluorobenzoate
CID 43715399
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
2-ethyl-N-(3-fluoro-4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 115254755
4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol
CID 115524031
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
CID 114875158
2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol
CID 64795397
4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutylamino)-2-fluorophenol?
The IUPAC name of 4-(2-ethylbutylamino)-2-fluorophenol (CID 64782965) is 4-(2-ethylbutylamino)-2-fluorophenol.
What is the SMILES notation for 4-(2-ethylbutylamino)-2-fluorophenol?
The canonical SMILES for 4-(2-ethylbutylamino)-2-fluorophenol is CCC(CC)CNc1ccc(O)c(F)c1.
What is the InChIKey of 4-(2-ethylbutylamino)-2-fluorophenol?
The InChIKey is LHDIHLXIXYEROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-9(4-2)8-14-10-5-6-12(15)11(13)7-10/h5-7,9,14-15H,3-4,8H2,1-2H3.
What are the key properties of 4-(2-ethylbutylamino)-2-fluorophenol?
4-(2-ethylbutylamino)-2-fluorophenol has a molecular weight of 211.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutylamino)-2-fluorophenol is sourced from PubChem (CID 64782965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).