3-(2-ethylhexyl)-3-phenylazetidine

C17H27N — CID 79451049

IUPAC3-(2-ethylhexyl)-3-phenylazetidine
SMILESCCCCC(CC)CC1(c2ccccc2)CNC1
InChIInChI=1S/C17H27N/c1-3-5-9-15(4-2)12-17(13-18-14-17)16-10-7-6-8-11-16/h6-8,10-11,15,18H,3-5,9,12-14H2,1-2H3
InChIKeyXDHPBLGAUFGGTL-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.13
Rot. Bonds7

About 3-(2-ethylhexyl)-3-phenylazetidine

3-(2-ethylhexyl)-3-phenylazetidine (PubChem CID 79451049) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-(2-ethylhexyl)-3-phenylazetidine.

Molecular Properties

Compound Name3-(2-ethylhexyl)-3-phenylazetidine
PubChem CID79451049
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-(2-ethylhexyl)-3-phenylazetidine
SMILESCCCCC(CC)CC1(c2ccccc2)CNC1
InChIInChI=1S/C17H27N/c1-3-5-9-15(4-2)12-17(13-18-14-17)16-10-7-6-8-11-16/h6-8,10-11,15,18H,3-5,9,12-14H2,1-2H3
InChIKeyXDHPBLGAUFGGTL-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)-3-phenylazetidine?
The IUPAC name of 3-(2-ethylhexyl)-3-phenylazetidine (CID 79451049) is 3-(2-ethylhexyl)-3-phenylazetidine.
What is the SMILES notation for 3-(2-ethylhexyl)-3-phenylazetidine?
The canonical SMILES for 3-(2-ethylhexyl)-3-phenylazetidine is CCCCC(CC)CC1(c2ccccc2)CNC1.
What is the InChIKey of 3-(2-ethylhexyl)-3-phenylazetidine?
The InChIKey is XDHPBLGAUFGGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-5-9-15(4-2)12-17(13-18-14-17)16-10-7-6-8-11-16/h6-8,10-11,15,18H,3-5,9,12-14H2,1-2H3.
What are the key properties of 3-(2-ethylhexyl)-3-phenylazetidine?
3-(2-ethylhexyl)-3-phenylazetidine has a molecular weight of 245.41 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)-3-phenylazetidine is sourced from PubChem (CID 79451049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).