3-phenyloxetan-3-amine;hydrochloride

C9H12ClNO — CID 53256980

IUPAC3-phenyloxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccccc2)COC1
InChIInChI=1S/C9H11NO.ClH/c10-9(6-11-7-9)8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
InChIKeyRWUQQOGOMYRSSK-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.29
Rot. Bonds1

About 3-phenyloxetan-3-amine;hydrochloride

3-phenyloxetan-3-amine;hydrochloride (PubChem CID 53256980) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-phenyloxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-phenyloxetan-3-amine;hydrochloride
PubChem CID53256980
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-phenyloxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccccc2)COC1
InChIInChI=1S/C9H11NO.ClH/c10-9(6-11-7-9)8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
InChIKeyRWUQQOGOMYRSSK-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyloxetan-3-amine;hydrochloride?
The IUPAC name of 3-phenyloxetan-3-amine;hydrochloride (CID 53256980) is 3-phenyloxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-phenyloxetan-3-amine;hydrochloride?
The canonical SMILES for 3-phenyloxetan-3-amine;hydrochloride is Cl.NC1(c2ccccc2)COC1.
What is the InChIKey of 3-phenyloxetan-3-amine;hydrochloride?
The InChIKey is RWUQQOGOMYRSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c10-9(6-11-7-9)8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H.
What are the key properties of 3-phenyloxetan-3-amine;hydrochloride?
3-phenyloxetan-3-amine;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyloxetan-3-amine;hydrochloride is sourced from PubChem (CID 53256980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).