4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol

C16H24FNO3 — CID 104985520

IUPAC4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol
SMILESCc1cc(N(C)CC2(O)CCOCC2)c([C@H](C)O)cc1F
InChIInChI=1S/C16H24FNO3/c1-11-8-15(13(12(2)19)9-14(11)17)18(3)10-16(20)4-6-21-7-5-16/h8-9,12,19-20H,4-7,10H2,1-3H3/t12-/m0/s1
InChIKeyFQVAZTCEDCTIOD-LBPRGKRZSA-N
MW297.37 g/mol
LogP2.17
Rot. Bonds4

About 4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol

4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol (PubChem CID 104985520) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol
PubChem CID104985520
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol
SMILESCc1cc(N(C)CC2(O)CCOCC2)c([C@H](C)O)cc1F
InChIInChI=1S/C16H24FNO3/c1-11-8-15(13(12(2)19)9-14(11)17)18(3)10-16(20)4-6-21-7-5-16/h8-9,12,19-20H,4-7,10H2,1-3H3/t12-/m0/s1
InChIKeyFQVAZTCEDCTIOD-LBPRGKRZSA-N
XLogP2.17
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985498
4-[[4-(1-aminoethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950051
4-[[2-chloro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985516
4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol
CID 114947947
4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
CID 112661699
4-[[4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985502
4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
CID 114950338
4-[[2-[(1R)-1-hydroxyethyl]-3-methoxy-N-methylanilino]methyl]oxan-4-ol
CID 104985511
5-amino-2-fluoro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzoic acid
CID 114947704
4-[[4-(ethylaminomethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950674
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzenesulfonamide
CID 114951868

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol (CID 104985520) is 4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol is Cc1cc(N(C)CC2(O)CCOCC2)c([C@H](C)O)cc1F.
What is the InChIKey of 4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol?
The InChIKey is FQVAZTCEDCTIOD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-11-8-15(13(12(2)19)9-14(11)17)18(3)10-16(20)4-6-21-7-5-16/h8-9,12,19-20H,4-7,10H2,1-3H3/t12-/m0/s1.
What are the key properties of 4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol?
4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol has a molecular weight of 297.37 g/mol, XLogP of 2.17, 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-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol is sourced from PubChem (CID 104985520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).