3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride

C10H14ClNO2 — CID 53256998

IUPAC3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride
SMILESCOc1ccc(C2(N)COC2)cc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-12-9-4-2-8(3-5-9)10(11)6-13-7-10;/h2-5H,6-7,11H2,1H3;1H
InChIKeyWMQAFEGROJLXAR-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.30
Rot. Bonds2

About 3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride

3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride (PubChem CID 53256998) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride
PubChem CID53256998
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride
SMILESCOc1ccc(C2(N)COC2)cc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-12-9-4-2-8(3-5-9)10(11)6-13-7-10;/h2-5H,6-7,11H2,1H3;1H
InChIKeyWMQAFEGROJLXAR-UHFFFAOYSA-N
XLogP1.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride?
The IUPAC name of 3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride (CID 53256998) is 3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride?
The canonical SMILES for 3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride is COc1ccc(C2(N)COC2)cc1.Cl.
What is the InChIKey of 3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride?
The InChIKey is WMQAFEGROJLXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-12-9-4-2-8(3-5-9)10(11)6-13-7-10;/h2-5H,6-7,11H2,1H3;1H.
What are the key properties of 3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride?
3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)oxetan-3-amine;hydrochloride is sourced from PubChem (CID 53256998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).