[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol

C14H20FNO3 — CID 111976549

IUPAC[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCN(CCOc1ccccc1F)CC1(CO)COC1
InChIInChI=1S/C14H20FNO3/c1-16(8-14(9-17)10-18-11-14)6-7-19-13-5-3-2-4-12(13)15/h2-5,17H,6-11H2,1H3
InChIKeyRRJREYAKEVHQIU-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.15
Rot. Bonds7

About [3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol

[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 111976549) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is [3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol
PubChem CID111976549
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCN(CCOc1ccccc1F)CC1(CO)COC1
InChIInChI=1S/C14H20FNO3/c1-16(8-14(9-17)10-18-11-14)6-7-19-13-5-3-2-4-12(13)15/h2-5,17H,6-11H2,1H3
InChIKeyRRJREYAKEVHQIU-UHFFFAOYSA-N
XLogP1.15
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol
CID 91836426
[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol
CID 111976653
N'-[2-(2-fluorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62686273
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248930
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)-N-methylethanamine
CID 115249625
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 26386856
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide
CID 66240651
3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 55500464
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol (CID 111976549) is [3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol is CN(CCOc1ccccc1F)CC1(CO)COC1.
What is the InChIKey of [3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is RRJREYAKEVHQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-16(8-14(9-17)10-18-11-14)6-7-19-13-5-3-2-4-12(13)15/h2-5,17H,6-11H2,1H3.
What are the key properties of [3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 269.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).