[3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine

C11H14FNO2 — CID 102605734

IUPAC[3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine
SMILESNCc1ccc(COC2COC2)c(F)c1
InChIInChI=1S/C11H14FNO2/c12-11-3-8(4-13)1-2-9(11)5-15-10-6-14-7-10/h1-3,10H,4-7,13H2
InChIKeyQKTCMJRZSXKZRM-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.20
Rot. Bonds4

About [3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine

[3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine (PubChem CID 102605734) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is [3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine
PubChem CID102605734
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name[3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine
SMILESNCc1ccc(COC2COC2)c(F)c1
InChIInChI=1S/C11H14FNO2/c12-11-3-8(4-13)1-2-9(11)5-15-10-6-14-7-10/h1-3,10H,4-7,13H2
InChIKeyQKTCMJRZSXKZRM-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)phenyl]methanamine
CID 102605729
5-chloro-2-(oxetan-3-yloxymethyl)aniline
CID 102605621
N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 107457989
[5-(oxetan-3-yloxymethyl)furan-3-yl]methanamine
CID 102608146
3-fluoro-4-(oxolan-3-yloxymethyl)benzonitrile
CID 63556454
[3-fluoro-4-(oxolan-3-yloxymethyl)phenyl]boronic acid
CID 63556693
[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
CID 114479437
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
CID 43530931
[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
CID 60919309
4-(cyclobutyloxymethyl)-3-fluoroaniline
CID 64768897

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine (CID 102605734) is [3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine is NCc1ccc(COC2COC2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine?
The InChIKey is QKTCMJRZSXKZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-11-3-8(4-13)1-2-9(11)5-15-10-6-14-7-10/h1-3,10H,4-7,13H2.
What are the key properties of [3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine?
[3-fluoro-4-(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-4-(oxetan-3-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 102605734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).