3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride

C15H16Cl2N2 — CID 166608972

IUPAC3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2ccccc2-c2ccc(Cl)cc2)CNC1
InChIInChI=1S/C15H15ClN2.ClH/c16-12-7-5-11(6-8-12)13-3-1-2-4-14(13)15(17)9-18-10-15;/h1-8,18H,9-10,17H2;1H
InChIKeyZPVVLUBJBQLXHS-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.19
Rot. Bonds2

About 3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride

3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride (PubChem CID 166608972) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride
PubChem CID166608972
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2ccccc2-c2ccc(Cl)cc2)CNC1
InChIInChI=1S/C15H15ClN2.ClH/c16-12-7-5-11(6-8-12)13-3-1-2-4-14(13)15(17)9-18-10-15;/h1-8,18H,9-10,17H2;1H
InChIKeyZPVVLUBJBQLXHS-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride?
The IUPAC name of 3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride (CID 166608972) is 3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride.
What is the SMILES notation for 3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride?
The canonical SMILES for 3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride is Cl.NC1(c2ccccc2-c2ccc(Cl)cc2)CNC1.
What is the InChIKey of 3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride?
The InChIKey is ZPVVLUBJBQLXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2.ClH/c16-12-7-5-11(6-8-12)13-3-1-2-4-14(13)15(17)9-18-10-15;/h1-8,18H,9-10,17H2;1H.
What are the key properties of 3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride?
3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride has a molecular weight of 295.21 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)phenyl]azetidin-3-amine;hydrochloride is sourced from PubChem (CID 166608972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).