4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol

C15H22FNO3 — CID 104985498

IUPAC4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
SMILESC[C@@H](O)c1cc(F)ccc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H22FNO3/c1-11(18)13-9-12(16)3-4-14(13)17(2)10-15(19)5-7-20-8-6-15/h3-4,9,11,18-19H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyYCMWVFDAMPVZCK-LLVKDONJSA-N
MW283.34 g/mol
LogP1.86
Rot. Bonds4

About 4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol

4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol (PubChem CID 104985498) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
PubChem CID104985498
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
SMILESC[C@@H](O)c1cc(F)ccc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H22FNO3/c1-11(18)13-9-12(16)3-4-14(13)17(2)10-15(19)5-7-20-8-6-15/h3-4,9,11,18-19H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyYCMWVFDAMPVZCK-LLVKDONJSA-N
XLogP1.86
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol
CID 104985520
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-fluorophenyl]ethanol
CID 105415694
4-[[2-chloro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985516
4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950051
4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
CID 114950338
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
4-[[2-[(1R)-1-hydroxyethyl]-3-methoxy-N-methylanilino]methyl]oxan-4-ol
CID 104985511
4-[[4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985502
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
4-[[4-amino-N-methyl-2-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947800
4-[[4-(ethylaminomethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950674

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol (CID 104985498) is 4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol is C[C@@H](O)c1cc(F)ccc1N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol?
The InChIKey is YCMWVFDAMPVZCK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-11(18)13-9-12(16)3-4-14(13)17(2)10-15(19)5-7-20-8-6-15/h3-4,9,11,18-19H,5-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol?
4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol has a molecular weight of 283.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol is sourced from PubChem (CID 104985498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).