5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol

C13H20FNO — CID 63066523

IUPAC5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
SMILESCCCC(C)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C13H20FNO/c1-4-5-9(2)15-10(3)12-7-6-11(14)8-13(12)16/h6-10,15-16H,4-5H2,1-3H3
InChIKeyQZERNVXFDMFQOQ-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.37
Rot. Bonds5

About 5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol

5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol (PubChem CID 63066523) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
PubChem CID63066523
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
SMILESCCCC(C)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C13H20FNO/c1-4-5-9(2)15-10(3)12-7-6-11(14)8-13(12)16/h6-10,15-16H,4-5H2,1-3H3
InChIKeyQZERNVXFDMFQOQ-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
5-fluoro-2-[1-(pent-4-yn-2-ylamino)ethyl]phenol
CID 104582819
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
5-fluoro-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 104584218
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
CID 63065853
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884
2-[1-(hexan-2-ylamino)ethyl]-5-methylphenol
CID 62196420
5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol (CID 63066523) is 5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol is CCCC(C)NC(C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol?
The InChIKey is QZERNVXFDMFQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-5-9(2)15-10(3)12-7-6-11(14)8-13(12)16/h6-10,15-16H,4-5H2,1-3H3.
What are the key properties of 5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol?
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol has a molecular weight of 225.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 63066523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).