1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol

C14H22FNO2 — CID 61445859

IUPAC1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
SMILESCCCCN(CCO)c1ccc(C(C)O)cc1F
InChIInChI=1S/C14H22FNO2/c1-3-4-7-16(8-9-17)14-6-5-12(11(2)18)10-13(14)15/h5-6,10-11,17-18H,3-4,7-9H2,1-2H3
InChIKeySOBGFQLRSXJYFF-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.48
Rot. Bonds7

About 1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol

1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol (PubChem CID 61445859) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
PubChem CID61445859
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
SMILESCCCCN(CCO)c1ccc(C(C)O)cc1F
InChIInChI=1S/C14H22FNO2/c1-3-4-7-16(8-9-17)14-6-5-12(11(2)18)10-13(14)15/h5-6,10-11,17-18H,3-4,7-9H2,1-2H3
InChIKeySOBGFQLRSXJYFF-UHFFFAOYSA-N
XLogP2.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 55183360
1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43505973
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
CID 78939586
(1S)-1-[3-fluoro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 78940410
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
1-[3-fluoro-4-[2-hydroxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 54994585
(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 63371146
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanone
CID 61446469
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
5-[2-fluoro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]pentan-1-ol
CID 107200857
1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol
CID 61445224

Frequently Asked Questions

What is the IUPAC name of 1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol (CID 61445859) is 1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol is CCCCN(CCO)c1ccc(C(C)O)cc1F.
What is the InChIKey of 1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is SOBGFQLRSXJYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-4-7-16(8-9-17)14-6-5-12(11(2)18)10-13(14)15/h5-6,10-11,17-18H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol?
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 255.33 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 61445859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).