(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol

C13H18FNO2 — CID 82742145

IUPAC(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)C1CCOC1
InChIInChI=1S/C13H18FNO2/c1-9(16)13-11(14)4-3-5-12(13)15(2)10-6-7-17-8-10/h3-5,9-10,16H,6-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyVJRKRDFHMCOASD-RGURZIINSA-N
MW239.29 g/mol
LogP2.10
Rot. Bonds3

About (1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol

(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol (PubChem CID 82742145) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
PubChem CID82742145
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)C1CCOC1
InChIInChI=1S/C13H18FNO2/c1-9(16)13-11(14)4-3-5-12(13)15(2)10-6-7-17-8-10/h3-5,9-10,16H,6-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyVJRKRDFHMCOASD-RGURZIINSA-N
XLogP2.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742056
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol
CID 78948278
3-fluoro-1-N-methyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 60790197
N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine
CID 139410309
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
1-[2-[methyl(oxan-4-yl)amino]phenyl]ethanol
CID 43611437
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
1-[3-bromo-4-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82741897
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol (CID 82742145) is (1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol is C[C@H](O)c1c(F)cccc1N(C)C1CCOC1.
What is the InChIKey of (1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol?
The InChIKey is VJRKRDFHMCOASD-RGURZIINSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(16)13-11(14)4-3-5-12(13)15(2)10-6-7-17-8-10/h3-5,9-10,16H,6-8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol?
(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol has a molecular weight of 239.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol is sourced from PubChem (CID 82742145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).