2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol

C17H18FNO — CID 64795009

IUPAC2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
SMILESCc1ccc(C2CC(Nc3ccc(O)c(F)c3)C2)cc1
InChIInChI=1S/C17H18FNO/c1-11-2-4-12(5-3-11)13-8-15(9-13)19-14-6-7-17(20)16(18)10-14/h2-7,10,13,15,19-20H,8-9H2,1H3
InChIKeySTRBZVFIGPFYMR-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.20
Rot. Bonds3

About 2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol

2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol (PubChem CID 64795009) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
PubChem CID64795009
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
SMILESCc1ccc(C2CC(Nc3ccc(O)c(F)c3)C2)cc1
InChIInChI=1S/C17H18FNO/c1-11-2-4-12(5-3-11)13-8-15(9-13)19-14-6-7-17(20)16(18)10-14/h2-7,10,13,15,19-20H,8-9H2,1H3
InChIKeySTRBZVFIGPFYMR-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol?
The IUPAC name of 2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol (CID 64795009) is 2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol.
What is the SMILES notation for 2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol?
The canonical SMILES for 2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol is Cc1ccc(C2CC(Nc3ccc(O)c(F)c3)C2)cc1.
What is the InChIKey of 2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol?
The InChIKey is STRBZVFIGPFYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-2-4-12(5-3-11)13-8-15(9-13)19-14-6-7-17(20)16(18)10-14/h2-7,10,13,15,19-20H,8-9H2,1H3.
What are the key properties of 2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol?
2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol has a molecular weight of 271.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol is sourced from PubChem (CID 64795009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).