3-(3-phenylphenyl)azetidine;hydrochloride

C15H16ClN — CID 154791407

IUPAC3-(3-phenylphenyl)azetidine;hydrochloride
SMILESCl.c1ccc(-c2cccc(C3CNC3)c2)cc1
InChIInChI=1S/C15H15N.ClH/c1-2-5-12(6-3-1)13-7-4-8-14(9-13)15-10-16-11-15;/h1-9,15-16H,10-11H2;1H
InChIKeyVDZKJBPVQSVEFM-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.46
Rot. Bonds2

About 3-(3-phenylphenyl)azetidine;hydrochloride

3-(3-phenylphenyl)azetidine;hydrochloride (PubChem CID 154791407) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 3-(3-phenylphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(3-phenylphenyl)azetidine;hydrochloride
PubChem CID154791407
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name3-(3-phenylphenyl)azetidine;hydrochloride
SMILESCl.c1ccc(-c2cccc(C3CNC3)c2)cc1
InChIInChI=1S/C15H15N.ClH/c1-2-5-12(6-3-1)13-7-4-8-14(9-13)15-10-16-11-15;/h1-9,15-16H,10-11H2;1H
InChIKeyVDZKJBPVQSVEFM-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenyl)azetidine;hydrochloride?
The IUPAC name of 3-(3-phenylphenyl)azetidine;hydrochloride (CID 154791407) is 3-(3-phenylphenyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(3-phenylphenyl)azetidine;hydrochloride?
The canonical SMILES for 3-(3-phenylphenyl)azetidine;hydrochloride is Cl.c1ccc(-c2cccc(C3CNC3)c2)cc1.
What is the InChIKey of 3-(3-phenylphenyl)azetidine;hydrochloride?
The InChIKey is VDZKJBPVQSVEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.ClH/c1-2-5-12(6-3-1)13-7-4-8-14(9-13)15-10-16-11-15;/h1-9,15-16H,10-11H2;1H.
What are the key properties of 3-(3-phenylphenyl)azetidine;hydrochloride?
3-(3-phenylphenyl)azetidine;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenyl)azetidine;hydrochloride is sourced from PubChem (CID 154791407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).