3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine

C18H20ClN — CID 79451883

IUPAC3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine
SMILESCCc1ccc(CC2(c3ccc(Cl)cc3)CNC2)cc1
InChIInChI=1S/C18H20ClN/c1-2-14-3-5-15(6-4-14)11-18(12-20-13-18)16-7-9-17(19)10-8-16/h3-10,20H,2,11-13H2,1H3
InChIKeyNIEBZJQXDQNQMN-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.99
Rot. Bonds4

About 3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine

3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine (PubChem CID 79451883) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine
PubChem CID79451883
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine
SMILESCCc1ccc(CC2(c3ccc(Cl)cc3)CNC2)cc1
InChIInChI=1S/C18H20ClN/c1-2-14-3-5-15(6-4-14)11-18(12-20-13-18)16-7-9-17(19)10-8-16/h3-10,20H,2,11-13H2,1H3
InChIKeyNIEBZJQXDQNQMN-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine?
The IUPAC name of 3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine (CID 79451883) is 3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine.
What is the SMILES notation for 3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine?
The canonical SMILES for 3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine is CCc1ccc(CC2(c3ccc(Cl)cc3)CNC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine?
The InChIKey is NIEBZJQXDQNQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-2-14-3-5-15(6-4-14)11-18(12-20-13-18)16-7-9-17(19)10-8-16/h3-10,20H,2,11-13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine?
3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine has a molecular weight of 285.82 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine is sourced from PubChem (CID 79451883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).