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

C12H18FNO2 — CID 63064953

IUPAC5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
SMILESCCC(CO)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C12H18FNO2/c1-3-10(7-15)14-8(2)11-5-4-9(13)6-12(11)16/h4-6,8,10,14-16H,3,7H2,1-2H3
InChIKeyMEXJYXHXBGGISL-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.95
Rot. Bonds5

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

5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol (PubChem CID 63064953) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
PubChem CID63064953
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
SMILESCCC(CO)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C12H18FNO2/c1-3-10(7-15)14-8(2)11-5-4-9(13)6-12(11)16/h4-6,8,10,14-16H,3,7H2,1-2H3
InChIKeyMEXJYXHXBGGISL-UHFFFAOYSA-N
XLogP1.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.95
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-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]phenol
CID 104980959
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-5-methylphenol
CID 104980904
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
5-fluoro-2-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]phenol
CID 63182312
5-fluoro-2-[1-(pent-4-yn-2-ylamino)ethyl]phenol
CID 104582819
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
CID 63065853
5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
5-fluoro-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 104584218
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol (CID 63064953) is 5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol is CCC(CO)NC(C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol?
The InChIKey is MEXJYXHXBGGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-10(7-15)14-8(2)11-5-4-9(13)6-12(11)16/h4-6,8,10,14-16H,3,7H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol?
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol has a molecular weight of 227.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 63064953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).