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

C11H15NO2 — CID 102605746

IUPAC[3-(oxetan-3-yloxymethyl)phenyl]methanamine
SMILESNCc1cccc(COC2COC2)c1
InChIInChI=1S/C11H15NO2/c12-5-9-2-1-3-10(4-9)6-14-11-7-13-8-11/h1-4,11H,5-8,12H2
InChIKeyJASJZOSAKHPORN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.06
Rot. Bonds4

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

[3-(oxetan-3-yloxymethyl)phenyl]methanamine (PubChem CID 102605746) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [3-(oxetan-3-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(oxetan-3-yloxymethyl)phenyl]methanamine
PubChem CID102605746
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[3-(oxetan-3-yloxymethyl)phenyl]methanamine
SMILESNCc1cccc(COC2COC2)c1
InChIInChI=1S/C11H15NO2/c12-5-9-2-1-3-10(4-9)6-14-11-7-13-8-11/h1-4,11H,5-8,12H2
InChIKeyJASJZOSAKHPORN-UHFFFAOYSA-N
XLogP1.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-5-(oxetan-3-yloxymethyl)phenyl]methanamine
CID 102605729
[5-(oxetan-3-yloxymethyl)furan-3-yl]methanamine
CID 102608146
[3-fluoro-4-(oxetan-3-yloxymethyl)phenyl]methanamine
CID 102605734
3-(oxetan-3-yloxymethyl)benzohydrazide
CID 102608436
[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine
CID 102605751
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
O-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117285119
3-[[(3S)-oxolan-3-yl]oxymethyl]benzaldehyde
CID 150049092
[3-(oxolan-3-yloxymethyl)phenyl]boronic acid
CID 63556694
[3-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 66324298
3-phenylmethoxy-1,5-dioxa-9,13-dithiacyclohexadecane-7,15-diol
CID 15474964

Frequently Asked Questions

What is the IUPAC name of [3-(oxetan-3-yloxymethyl)phenyl]methanamine?
The IUPAC name of [3-(oxetan-3-yloxymethyl)phenyl]methanamine (CID 102605746) is [3-(oxetan-3-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [3-(oxetan-3-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [3-(oxetan-3-yloxymethyl)phenyl]methanamine is NCc1cccc(COC2COC2)c1.
What is the InChIKey of [3-(oxetan-3-yloxymethyl)phenyl]methanamine?
The InChIKey is JASJZOSAKHPORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-5-9-2-1-3-10(4-9)6-14-11-7-13-8-11/h1-4,11H,5-8,12H2.
What are the key properties of [3-(oxetan-3-yloxymethyl)phenyl]methanamine?
[3-(oxetan-3-yloxymethyl)phenyl]methanamine has a molecular weight of 193.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxetan-3-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 102605746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).