3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride

C23H21ClN2 — CID 166608947

IUPAC3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2c3ccccc3c(-c3ccccc3)c3ccccc23)CNC1
InChIInChI=1S/C23H20N2.ClH/c24-23(14-25-15-23)22-19-12-6-4-10-17(19)21(16-8-2-1-3-9-16)18-11-5-7-13-20(18)22;/h1-13,25H,14-15,24H2;1H
InChIKeyHTKVMGDVYIBNMU-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.84
Rot. Bonds2

About 3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride

3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride (PubChem CID 166608947) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride
PubChem CID166608947
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2c3ccccc3c(-c3ccccc3)c3ccccc23)CNC1
InChIInChI=1S/C23H20N2.ClH/c24-23(14-25-15-23)22-19-12-6-4-10-17(19)21(16-8-2-1-3-9-16)18-11-5-7-13-20(18)22;/h1-13,25H,14-15,24H2;1H
InChIKeyHTKVMGDVYIBNMU-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride?
The IUPAC name of 3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride (CID 166608947) is 3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride.
What is the SMILES notation for 3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride?
The canonical SMILES for 3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride is Cl.NC1(c2c3ccccc3c(-c3ccccc3)c3ccccc23)CNC1.
What is the InChIKey of 3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride?
The InChIKey is HTKVMGDVYIBNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2.ClH/c24-23(14-25-15-23)22-19-12-6-4-10-17(19)21(16-8-2-1-3-9-16)18-11-5-7-13-20(18)22;/h1-13,25H,14-15,24H2;1H.
What are the key properties of 3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride?
3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-phenylanthracen-9-yl)azetidin-3-amine;hydrochloride is sourced from PubChem (CID 166608947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).