(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol

C15H22FNO2 — CID 78948278

IUPAC(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)CC1CCOCC1
InChIInChI=1S/C15H22FNO2/c1-11(18)15-13(16)4-3-5-14(15)17(2)10-12-6-8-19-9-7-12/h3-5,11-12,18H,6-10H2,1-2H3/t11-/m0/s1
InChIKeyZFPNGBFYZOFLEM-NSHDSACASA-N
MW267.34 g/mol
LogP2.74
Rot. Bonds4

About (1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol

(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol (PubChem CID 78948278) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol
PubChem CID78948278
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)CC1CCOCC1
InChIInChI=1S/C15H22FNO2/c1-11(18)15-13(16)4-3-5-14(15)17(2)10-12-6-8-19-9-7-12/h3-5,11-12,18H,6-10H2,1-2H3/t11-/m0/s1
InChIKeyZFPNGBFYZOFLEM-NSHDSACASA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol
CID 78941206
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480
(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742145
(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 107399695
(1R)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742056
[3-fluoro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol
CID 114067505
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol (CID 78948278) is (1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol is C[C@H](O)c1c(F)cccc1N(C)CC1CCOCC1.
What is the InChIKey of (1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol?
The InChIKey is ZFPNGBFYZOFLEM-NSHDSACASA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(18)15-13(16)4-3-5-14(15)17(2)10-12-6-8-19-9-7-12/h3-5,11-12,18H,6-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol?
(1S)-1-[2-fluoro-6-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanol has a molecular weight of 267.34 g/mol, XLogP of 2.74, 4 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(oxan-4-ylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 78948278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).