(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol

C13H20FNO — CID 63371580

IUPAC(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
SMILESCCCCN(C)c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C13H20FNO/c1-4-5-9-15(3)12-8-6-7-11(14)13(12)10(2)16/h6-8,10,16H,4-5,9H2,1-3H3/t10-/m1/s1
InChIKeyUHJTWWVGGGKLMF-SNVBAGLBSA-N
MW225.31 g/mol
LogP3.12
Rot. Bonds5

About (1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol

(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol (PubChem CID 63371580) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
PubChem CID63371580
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
SMILESCCCCN(C)c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C13H20FNO/c1-4-5-9-15(3)12-8-6-7-11(14)13(12)10(2)16/h6-8,10,16H,4-5,9H2,1-3H3/t10-/m1/s1
InChIKeyUHJTWWVGGGKLMF-SNVBAGLBSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]propanenitrile
CID 43506029
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol
CID 78939866
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55183941

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol (CID 63371580) is (1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol is CCCCN(C)c1cccc(F)c1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol?
The InChIKey is UHJTWWVGGGKLMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-5-9-15(3)12-8-6-7-11(14)13(12)10(2)16/h6-8,10,16H,4-5,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol?
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol has a molecular weight of 225.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 63371580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).