(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol

C13H20FNO — CID 63370772

IUPAC(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
SMILESCC(C)CN(C)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C13H20FNO/c1-9(2)8-15(4)13-6-5-11(14)7-12(13)10(3)16/h5-7,9-10,16H,8H2,1-4H3/t10-/m1/s1
InChIKeyGORPPEKXABRUAW-SNVBAGLBSA-N
MW225.31 g/mol
LogP2.97
Rot. Bonds4

About (1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol

(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol (PubChem CID 63370772) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
PubChem CID63370772
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
SMILESCC(C)CN(C)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C13H20FNO/c1-9(2)8-15(4)13-6-5-11(14)7-12(13)10(3)16/h5-7,9-10,16H,8H2,1-4H3/t10-/m1/s1
InChIKeyGORPPEKXABRUAW-SNVBAGLBSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 63372729
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
(1R)-1-[5-fluoro-2-[methyl-[(4-methylphenyl)methyl]amino]phenyl]ethanol
CID 63370651
(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63966843
(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 63371131
1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol
CID 105415694
N,N-diethyl-2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]acetamide
CID 63371189
(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol
CID 78939923
(1R)-1-[5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl]ethanol
CID 78941192
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol (CID 63370772) is (1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol is CC(C)CN(C)c1ccc(F)cc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol?
The InChIKey is GORPPEKXABRUAW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)8-15(4)13-6-5-11(14)7-12(13)10(3)16/h5-7,9-10,16H,8H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol?
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol has a molecular weight of 225.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol is sourced from PubChem (CID 63370772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).