4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol

C14H22FNO2 — CID 113429342

IUPAC4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol
SMILESCCCC(C)(O)CNC(C)c1cc(F)ccc1O
InChIInChI=1S/C14H22FNO2/c1-4-7-14(3,18)9-16-10(2)12-8-11(15)5-6-13(12)17/h5-6,8,10,16-18H,4,7,9H2,1-3H3
InChIKeyUKGBOBJDEFEKAO-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.73
Rot. Bonds6

About 4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol

4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol (PubChem CID 113429342) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol
PubChem CID113429342
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol
SMILESCCCC(C)(O)CNC(C)c1cc(F)ccc1O
InChIInChI=1S/C14H22FNO2/c1-4-7-14(3,18)9-16-10(2)12-8-11(15)5-6-13(12)17/h5-6,8,10,16-18H,4,7,9H2,1-3H3
InChIKeyUKGBOBJDEFEKAO-UHFFFAOYSA-N
XLogP2.73
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
CID 102613622
3-[1-(2,5-difluorophenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66170679
tert-butyl N-[1-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 104582926
4-fluoro-2-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]phenol
CID 104581913
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
CID 65102724
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884
4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
CID 102696874
4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
CID 97050882
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 113246998
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol (CID 113429342) is 4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol is CCCC(C)(O)CNC(C)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol?
The InChIKey is UKGBOBJDEFEKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-7-14(3,18)9-16-10(2)12-8-11(15)5-6-13(12)17/h5-6,8,10,16-18H,4,7,9H2,1-3H3.
What are the key properties of 4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol?
4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol has a molecular weight of 255.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol is sourced from PubChem (CID 113429342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).