[4-(oxetan-3-yl)phenyl]methanamine

C10H13NO — CID 72698752

IUPAC[4-(oxetan-3-yl)phenyl]methanamine
SMILESNCc1ccc(C2COC2)cc1
InChIInChI=1S/C10H13NO/c11-5-8-1-3-9(4-2-8)10-6-12-7-10/h1-4,10H,5-7,11H2
InChIKeyHWFNEJREITUOIU-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.26
Rot. Bonds2

About [4-(oxetan-3-yl)phenyl]methanamine

[4-(oxetan-3-yl)phenyl]methanamine (PubChem CID 72698752) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is [4-(oxetan-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(oxetan-3-yl)phenyl]methanamine
PubChem CID72698752
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name[4-(oxetan-3-yl)phenyl]methanamine
SMILESNCc1ccc(C2COC2)cc1
InChIInChI=1S/C10H13NO/c11-5-8-1-3-9(4-2-8)10-6-12-7-10/h1-4,10H,5-7,11H2
InChIKeyHWFNEJREITUOIU-UHFFFAOYSA-N
XLogP1.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(oxetan-3-yl)phenyl]methanamine?
The IUPAC name of [4-(oxetan-3-yl)phenyl]methanamine (CID 72698752) is [4-(oxetan-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(oxetan-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(oxetan-3-yl)phenyl]methanamine is NCc1ccc(C2COC2)cc1.
What is the InChIKey of [4-(oxetan-3-yl)phenyl]methanamine?
The InChIKey is HWFNEJREITUOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-5-8-1-3-9(4-2-8)10-6-12-7-10/h1-4,10H,5-7,11H2.
What are the key properties of [4-(oxetan-3-yl)phenyl]methanamine?
[4-(oxetan-3-yl)phenyl]methanamine has a molecular weight of 163.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxetan-3-yl)phenyl]methanamine is sourced from PubChem (CID 72698752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).