[3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine

C11H14FNO2 — CID 102605729

IUPAC[3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine
SMILESNCc1cc(F)cc(COC2COC2)c1
InChIInChI=1S/C11H14FNO2/c12-10-2-8(4-13)1-9(3-10)5-15-11-6-14-7-11/h1-3,11H,4-7,13H2
InChIKeyJNKZYNKSNIVYIB-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.20
Rot. Bonds4

About [3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine

[3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine (PubChem CID 102605729) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is [3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine
PubChem CID102605729
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name[3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine
SMILESNCc1cc(F)cc(COC2COC2)c1
InChIInChI=1S/C11H14FNO2/c12-10-2-8(4-13)1-9(3-10)5-15-11-6-14-7-11/h1-3,11H,4-7,13H2
InChIKeyJNKZYNKSNIVYIB-UHFFFAOYSA-N
XLogP1.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(oxetan-3-yloxymethyl)phenyl]methanamine
CID 102605746
3-fluoro-5-(oxetan-3-yloxymethyl)benzoic acid
CID 102608413
[5-(oxetan-3-yloxymethyl)furan-3-yl]methanamine
CID 102608146
[3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine
CID 102605734
3-fluoro-5-(oxolan-3-yloxymethyl)aniline
CID 112646545
3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine
CID 105404486
3-(oxetan-3-yloxymethyl)benzohydrazide
CID 102608436
3-bromo-5-(oxetan-3-yloxymethyl)pyridine
CID 102607218
3-[3-(cycloheptyloxymethyl)-5-fluorophenyl]prop-2-yn-1-amine
CID 79706285
[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 116792491
[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine
CID 102607865
[3-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107722883

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine (CID 102605729) is [3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine is NCc1cc(F)cc(COC2COC2)c1.
What is the InChIKey of [3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine?
The InChIKey is JNKZYNKSNIVYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-10-2-8(4-13)1-9(3-10)5-15-11-6-14-7-11/h1-3,11H,4-7,13H2.
What are the key properties of [3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine?
[3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine has a molecular weight of 211.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 102605729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).