3-[4-(4-pentylphenyl)phenyl]azetidine

C20H25N — CID 154791464

IUPAC3-[4-(4-pentylphenyl)phenyl]azetidine
SMILESCCCCCc1ccc(-c2ccc(C3CNC3)cc2)cc1
InChIInChI=1S/C20H25N/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21-15-20/h6-13,20-21H,2-5,14-15H2,1H3
InChIKeyJCHDELQZBQYQFX-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.77
Rot. Bonds6

About 3-[4-(4-pentylphenyl)phenyl]azetidine

3-[4-(4-pentylphenyl)phenyl]azetidine (PubChem CID 154791464) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[4-(4-pentylphenyl)phenyl]azetidine.

Molecular Properties

Compound Name3-[4-(4-pentylphenyl)phenyl]azetidine
PubChem CID154791464
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3-[4-(4-pentylphenyl)phenyl]azetidine
SMILESCCCCCc1ccc(-c2ccc(C3CNC3)cc2)cc1
InChIInChI=1S/C20H25N/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21-15-20/h6-13,20-21H,2-5,14-15H2,1H3
InChIKeyJCHDELQZBQYQFX-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
4-[4-(4-octylphenyl)phenyl]cyclohexane-1-carbonitrile
CID 19979856
3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one
CID 11723546

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-pentylphenyl)phenyl]azetidine?
The IUPAC name of 3-[4-(4-pentylphenyl)phenyl]azetidine (CID 154791464) is 3-[4-(4-pentylphenyl)phenyl]azetidine.
What is the SMILES notation for 3-[4-(4-pentylphenyl)phenyl]azetidine?
The canonical SMILES for 3-[4-(4-pentylphenyl)phenyl]azetidine is CCCCCc1ccc(-c2ccc(C3CNC3)cc2)cc1.
What is the InChIKey of 3-[4-(4-pentylphenyl)phenyl]azetidine?
The InChIKey is JCHDELQZBQYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21-15-20/h6-13,20-21H,2-5,14-15H2,1H3.
What are the key properties of 3-[4-(4-pentylphenyl)phenyl]azetidine?
3-[4-(4-pentylphenyl)phenyl]azetidine has a molecular weight of 279.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-pentylphenyl)phenyl]azetidine is sourced from PubChem (CID 154791464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).