(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol

C14H22FNO — CID 63966843

IUPAC(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
SMILESCCC(C)(C)N(C)c1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C14H22FNO/c1-6-14(3,4)16(5)13-8-7-11(15)9-12(13)10(2)17/h7-10,17H,6H2,1-5H3/t10-/m0/s1
InChIKeyBFEHBSAPKOQPSS-JTQLQIEISA-N
MW239.33 g/mol
LogP3.50
Rot. Bonds4

About (1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol

(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol (PubChem CID 63966843) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
PubChem CID63966843
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
SMILESCCC(C)(C)N(C)c1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C14H22FNO/c1-6-14(3,4)16(5)13-8-7-11(15)9-12(13)10(2)17/h7-10,17H,6H2,1-5H3/t10-/m0/s1
InChIKeyBFEHBSAPKOQPSS-JTQLQIEISA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline
CID 63982799
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol
CID 63964637
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981611
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
(1S)-1-[3-chloro-4-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955161
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 63372729
(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371229

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol (CID 63966843) is (1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol is CCC(C)(C)N(C)c1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol?
The InChIKey is BFEHBSAPKOQPSS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22FNO/c1-6-14(3,4)16(5)13-8-7-11(15)9-12(13)10(2)17/h7-10,17H,6H2,1-5H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol?
(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol has a molecular weight of 239.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 63966843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).