1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol

C14H22FNO2 — CID 55010825

IUPAC1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol
SMILESCCN(c1ccc(F)cc1C(C)O)C(C)COC
InChIInChI=1S/C14H22FNO2/c1-5-16(10(2)9-18-4)14-7-6-12(15)8-13(14)11(3)17/h6-8,10-11,17H,5,9H2,1-4H3
InChIKeyWPRZYUONWOPBDH-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.74
Rot. Bonds6

About 1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol

1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol (PubChem CID 55010825) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol
PubChem CID55010825
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol
SMILESCCN(c1ccc(F)cc1C(C)O)C(C)COC
InChIInChI=1S/C14H22FNO2/c1-5-16(10(2)9-18-4)14-7-6-12(15)8-13(14)11(3)17/h6-8,10-11,17H,5,9H2,1-4H3
InChIKeyWPRZYUONWOPBDH-UHFFFAOYSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 63372729
3-[4-fluoro-2-(1-hydroxyethyl)-N-propan-2-ylanilino]propan-1-ol
CID 54994679
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005532
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol
CID 78939401
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63966843
2-(1-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)aniline
CID 55010184
2-N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189397

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol (CID 55010825) is 1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol is CCN(c1ccc(F)cc1C(C)O)C(C)COC.
What is the InChIKey of 1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol?
The InChIKey is WPRZYUONWOPBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-5-16(10(2)9-18-4)14-7-6-12(15)8-13(14)11(3)17/h6-8,10-11,17H,5,9H2,1-4H3.
What are the key properties of 1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol?
1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol has a molecular weight of 255.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol is sourced from PubChem (CID 55010825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).