3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine

C16H25N — CID 82934699

IUPAC3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine
SMILESCCC(CC)CC1(c2ccccc2C)CNC1
InChIInChI=1S/C16H25N/c1-4-14(5-2)10-16(11-17-12-16)15-9-7-6-8-13(15)3/h6-9,14,17H,4-5,10-12H2,1-3H3
InChIKeyYQUNPLAPDBDXTA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.66
Rot. Bonds5

About 3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine

3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine (PubChem CID 82934699) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine.

Molecular Properties

Compound Name3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine
PubChem CID82934699
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine
SMILESCCC(CC)CC1(c2ccccc2C)CNC1
InChIInChI=1S/C16H25N/c1-4-14(5-2)10-16(11-17-12-16)15-9-7-6-8-13(15)3/h6-9,14,17H,4-5,10-12H2,1-3H3
InChIKeyYQUNPLAPDBDXTA-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine?
The IUPAC name of 3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine (CID 82934699) is 3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine.
What is the SMILES notation for 3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine?
The canonical SMILES for 3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine is CCC(CC)CC1(c2ccccc2C)CNC1.
What is the InChIKey of 3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine?
The InChIKey is YQUNPLAPDBDXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-14(5-2)10-16(11-17-12-16)15-9-7-6-8-13(15)3/h6-9,14,17H,4-5,10-12H2,1-3H3.
What are the key properties of 3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine?
3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine has a molecular weight of 231.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)-3-(2-methylphenyl)azetidine is sourced from PubChem (CID 82934699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).