2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol

C17H20FNO — CID 107876208

IUPAC2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol
SMILESCC(C)C(CNc1ccc(O)c(F)c1)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-12(2)15(13-6-4-3-5-7-13)11-19-14-8-9-17(20)16(18)10-14/h3-10,12,15,19-20H,11H2,1-2H3
InChIKeyVZAJYTGUELMORC-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.38
Rot. Bonds5

About 2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol

2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol (PubChem CID 107876208) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol
PubChem CID107876208
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol
SMILESCC(C)C(CNc1ccc(O)c(F)c1)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-12(2)15(13-6-4-3-5-7-13)11-19-14-8-9-17(20)16(18)10-14/h3-10,12,15,19-20H,11H2,1-2H3
InChIKeyVZAJYTGUELMORC-UHFFFAOYSA-N
XLogP4.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.38
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

3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107875822
[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
CID 107875961
4-(2-ethylbutylamino)-2-fluorophenol
CID 64782965
4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107876218
2-chloro-5-[(3-methyl-2-phenylbutyl)amino]benzonitrile
CID 107875945
4-(ethylamino)-2-fluorophenol
CID 64793889
2-fluoro-4-(propylamino)phenol
CID 64780527
3-bromo-5-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876485
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875814
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943
2-N,2-N-dimethyl-5-N-(3-methyl-2-phenylbutyl)pyridine-2,5-diamine
CID 107875950

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol?
The IUPAC name of 2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol (CID 107876208) is 2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol.
What is the SMILES notation for 2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol?
The canonical SMILES for 2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol is CC(C)C(CNc1ccc(O)c(F)c1)c1ccccc1.
What is the InChIKey of 2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol?
The InChIKey is VZAJYTGUELMORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(2)15(13-6-4-3-5-7-13)11-19-14-8-9-17(20)16(18)10-14/h3-10,12,15,19-20H,11H2,1-2H3.
What are the key properties of 2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol?
2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol has a molecular weight of 273.35 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol is sourced from PubChem (CID 107876208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).