3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine

C15H22ClN — CID 79451063

IUPAC3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine
SMILESCCCC(C)CC1(c2ccc(Cl)cc2)CNC1
InChIInChI=1S/C15H22ClN/c1-3-4-12(2)9-15(10-17-11-15)13-5-7-14(16)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeySKBSLLZQKQOOTO-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.01
Rot. Bonds5

About 3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine

3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine (PubChem CID 79451063) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine
PubChem CID79451063
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine
SMILESCCCC(C)CC1(c2ccc(Cl)cc2)CNC1
InChIInChI=1S/C15H22ClN/c1-3-4-12(2)9-15(10-17-11-15)13-5-7-14(16)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeySKBSLLZQKQOOTO-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.01
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-(2-methylpentyl)azetidine?
The IUPAC name of 3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine (CID 79451063) is 3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine?
The canonical SMILES for 3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine is CCCC(C)CC1(c2ccc(Cl)cc2)CNC1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine?
The InChIKey is SKBSLLZQKQOOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-4-12(2)9-15(10-17-11-15)13-5-7-14(16)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine?
3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine has a molecular weight of 251.80 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine is sourced from PubChem (CID 79451063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).