3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine

C19H22ClNO — CID 159672639

IUPAC3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine
SMILESClc1ccc(COc2ccccc2CCCC2CNC2)cc1
InChIInChI=1S/C19H22ClNO/c20-18-10-8-15(9-11-18)14-22-19-7-2-1-5-17(19)6-3-4-16-12-21-13-16/h1-2,5,7-11,16,21H,3-4,6,12-14H2
InChIKeyMUEQKRYMSDXSSN-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.46
Rot. Bonds7

About 3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine

3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine (PubChem CID 159672639) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine.

Molecular Properties

Compound Name3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine
PubChem CID159672639
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine
SMILESClc1ccc(COc2ccccc2CCCC2CNC2)cc1
InChIInChI=1S/C19H22ClNO/c20-18-10-8-15(9-11-18)14-22-19-7-2-1-5-17(19)6-3-4-16-12-21-13-16/h1-2,5,7-11,16,21H,3-4,6,12-14H2
InChIKeyMUEQKRYMSDXSSN-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine?
The IUPAC name of 3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine (CID 159672639) is 3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine.
What is the SMILES notation for 3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine?
The canonical SMILES for 3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine is Clc1ccc(COc2ccccc2CCCC2CNC2)cc1.
What is the InChIKey of 3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine?
The InChIKey is MUEQKRYMSDXSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-18-10-8-15(9-11-18)14-22-19-7-2-1-5-17(19)6-3-4-16-12-21-13-16/h1-2,5,7-11,16,21H,3-4,6,12-14H2.
What are the key properties of 3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine?
3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine has a molecular weight of 315.84 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine is sourced from PubChem (CID 159672639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).